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15 September 2023  School of Young Scientists in Novosibirsk. SCTMS employees took part in the Third School of Young Scientists “Electrochemical devices: processes, materials, technologies”, which took place from September 11 to 13, 2023 at the meeting hall “Tocka kipeniya” of the Academy Park in Novosibirsk.

 

8 September 2023  Vladislav Osipov took part in the V. Fock Conference. Vladislav Osipov, a laboratory researcher at the Laboratory of Mathematical Modeling of Materials of the SCTMS, took part in the 19th session of the Conference named after V. Fock on theoretical, quantum and computational chemistry. The conference was held in Veliky Novgorod from 4 to 8 September 2023.

 

30 August 2023  State registration of the OxyCon database. The database of oxygen-ion conductors OxyCon has passed the state registration. Certificate No. 2023622337 issued by the Federal Service for Intellectual Property of Russia (ROSPATENT). Tags: Rospatent

 

28 July 2023  We continue to accept congratulations on the occasion of the 10th anniversary of the SCTMS. Our Center was congratulated by foreign colleagues: Prof. Roald Hoffman Nobel Prize winner in chemistry, professor of Cornell University and Prof. Davide Proserpio scientific consultant of SCTMS, professor of chemistry department of Milan University.

 

24 July 2023  Dr. Yelizaveta Morkhova received a grant from the Russian Science Foundation. Dr. Yelizaveta Morkhova, a junior researcher at the Laboratory of Crystal Chemistry and Crystal Design of the SCTMS, won the competition "Initiative Research by Young Scientists" aimed at supporting young researchers under the age of 33 who defended their Ph.D. dissertations.

 

21 July 2023  Four employees of SCTMS are laureates of the “Young Scientist” competition. Ekaterina Bukhteeva, Maria Solodovnikova, Alexander Antonyuk and Alexander Burchakov were among the winners of the Young Scientist-2023 competition in the field of natural and technical sciences.

 

13 July 2023  Mikhail Smolkov took part in the conference on applied informatics. Mikhail Smolkov, junior researcher at SCTMS, made an oral presentation at the IV International Scientific Conference "Modern Problems of Applied Mathematics, Informatics and Mechanics", which was held from June 22 to June 26, 2023 in the village of Elbrus, Kabardino-Balkaria.

 

12 July 2023  Congress of the Council of young scientists and Student scientific society in Nizhny Novgorod. SCTMS research laboratory assistant Vladislav Osipov took part in the XI All-Russian Congress of Councils of Young Scientists and Student Scientific Societies “Scientist of Our Time”, which was held in Nizhny Novgorod. The main events of the congress were held from 21 to 24 June 2023.

 

11 July 2023  Dr. Alexander Shevchenko returned from DLCP-2023. Dr. Alexander Shevchenko delivered an oral presentation at the 7th International Conference on Deep Learning in Computational Physics (DLCP-2023). The conference was held from 21 to 23 June 2023 by St. Petersburg State University.

 

3 July 2023  Dr. Artem Kabanov took part in METE-2023. SCTMS employee Dr. Artem Kabanov took part in the international scientific and technical conference "Modern electrochemical technologies and equipment – 2023" (Minsk, Republic of Belarus). The conference was held from May 15 to May 19, 2023 at the Belarusian State Technological University.

 

2 July 2023  SCTMS – 10 years! We accept congratulations. The Samara Center for Theoretical Materials Science (SCTMS) celebrates its 10th anniversary. The Center was established in 2013 as a part of the realisation of the Megagrant of the Government of the Russian Federation on the topic "Methods of theoretical forecasting of materials with specified physical properties".

 

21 June 2023  Dr. Yelizaveta Morkhova won the Provincial Grant. The scientific research of Dr. Yelizaveta Morkhova "Theoretical search, synthesis and experimental studies of new promising ion-conducting materials for electrochemical energy storage systems" was supported by the Governor of the Samara Region. Yelizaveta was included in the list of recipients of the Provincial grants in the field of science and technology.

 

4 June 2023  ICSD was extended with topological information. The next version of one of the largest and most authoritative databases on the structure of crystalline substances, the Inorganic Crystal Structure Database (ICSD: 2023/1), has been released. For the first time, the update ICSD includes information on the environment of atoms in the structure of crystals, which was obtained as part of a joint project between the SCTMS and ICSD, that has been implemented since 2021.

 

5 May 2023  Maria Solodovnikova and Dr. Alexander Burchakov returned from a conference in Ural Federal University. Employees of SCTMS took part in the XXXIII Russian Youth Scientific Conference with international participation "Problems of Theoretical and Experimental Chemistry", dedicated to the 100th anniversary of the birth of Professor V. Barkovsky. The conference was held at Ural Federal University (Yekaterinburg) from April 24 to April 27, 2023.

 

29 April 2023  Dr. Natalya Kabanova spoke at a conference in Apatity. Dr. Natalya Kabanova took part in the IV Conference "Research and development in the field of chemistry and technology of functional materials" (with international participation) dedicated to the 65th anniversary of the ICT KSC RAS. The conference events were held from 17 to 21 April 2023.

 

18 April 2023  Yelizaveta Morkhova entered in the Top 100 young scientists and designers of the Samara region. For the second year in a row, Yelizaveta Morkhova becomes the winner of the competition for the appointment of cash payments to young scientists and designers working in the Samara region and performing research and development work in priority areas for the development of science, technology and technology.

 

13 February 2023  SCTMS employees won a teaching grant from the program of Vladimir Potanin. The SCTMS team consisting of Dr. Artem Kabanov, Dr. Alexander Krutov and Dr. Yelizaveta Morkhova became the winner of the 2022/23 grant competition for teachers under the Vladimir Potanin Scholarship Program. The grant in the amount of up to 500 thousand rubles was allocated for the development of curricula for the master's program at the Department of General and Inorganic Chemistry of the Samara Polytechnic University.

 

12 December 2022  SCTMS employees are finalists of the UMNIK competition. Alexander Antonyuk won an individual grant from the UMNIK Samara Region 2022 program of the Innovation Assistance Fund. As part of the regional stage, 23 winners were selected from 114 projects. Alexander participated in the direction "New materials and chemical technologies".

 

9 December 2022  Vladislav Osipov received a grant from the President of the Russian Federation. Laboratory researcher at SCTMS, undergraduate of the Faculty of Chemistry and Technology Vladislav Osipov was among the winners of the competition for grants from the President of the Russian Federation. The grant is a monthly scholarship of 20,000 rubles during the established period of study in the master's program.

 

8 December 2022  Congress of Young Scientists in Sochi. Dr. Artem Kabanov, senior researcher at SCTMS, took part in the II Congress of Young Scientists at the invitation of the Russian Science Foundation. The event was held from December 1 to 3 in the Sirius Park of Science and Art (Sochi).

 

4 December 2022  Diploma of II degree in the competition of reports, presentation at the plenary session and a master class. Employees of SCTMS took part in the Second School of Young Scientists "Electrochemical Devices: Processes, Materials, Technologies", which was held from November 28 to November 30, 2022 in Novosibirsk on the basis of Institute of Solid State Chemistry and Mechanochemistry of the Siberian Branch of the RAS.

 

3 December 2022  Dr. Yelizaveta Morkhova and Alexander Antonyuk returned from the school at Skoltech. Employees of SCTMS Dr. Yelizaveta Morkhova and Alexander Antonyuk took part in the VII International Conference of Young Scientists "Actual Problems of Modern Electrochemistry and Electrochemical Materials Science", which was held at the Skolkovo Institute of Science and Technology from November 18 to November 22, 2022.

 

1 December 2022  The project of Dr. Alexander Shevchenko is supported by the Russian Science Foundation. Dr. Alexander Shevchenko, senior researcher at SCTMS, won the RSF competition "Conducting fundamental and exploratory research by small separate scientific groups." The study will be implemented for two years with funding of 1.5 million rubles per year.

 

22 November 2022  Discussion of lithium and post-lithium electrochemical systems in Skolkovo. SCTMS employees Dr. Artem Kabanov, Dr. Yelizaveta Morkhova and Dr. Evgeny Frolov took part in the XVII International Conference "Actual problems of energy conversion in lithium electrochemical systems", which was held at the Skolkovo Institute of Science and Technology (Moscow) from November 14 to 18, 2022.

 

26 October 2022  Congratulations to Yelizaveta Morkhova on successful defence of her Ph.d. thesis!. On October 25, 2022, Yelizaveta Morkhova, a junior research scientist of Samara Center for Theoretical Materials Science, successfully passed Ph.D. defense (dissertation advisor – Prof. Vladislav Blatov).

 

19 October 2022  Congratulations to Dr. Eugeny Alexandrov on the successful defence of the Habilitation thesis. On October 18, 2022, Dr. Eugeny Alexandrov, a Senior Research Scientist of Samara Center for Theoretical Materials Science, successfully passed the defence of the Habilitation thesis (dissertation consultant – Prof. Vladislav Blatov).

 

2 October 2022  Dr. Artem Kabanov and Yelizaveta Morkhova took part in a seminar on electrochemistry. Employees of SCTMS made oral presentations at the first Russian seminar "Electrochemistry in distributed and nuclear energy". The forum was held in the Elbrus educational and scientific complex of the Kabardino-Balkarian State University named after Kh. Berbekova from 18 to 22 September 2022.

 

27 September 2022  SCTMS employees shared their teaching experience. Director of SCTMS, Head of the Department of General and Inorganic Chemistry of the Samara Polytechnic University Prof. Vladislav Blatov and Senior Researcher of SCTMS, Associate Professor of this Department Dr. Eugeny Alexandrov took part in the I Russian Conference of Teachers of Crystallography (September 19–21, 2022, Moscow, Moscow State University), where they talked about the features of teaching the course of crystal chemistry at the Samara Polytechnic University.

 

15 September 2022  SCTMS employees take part in conferences on earth sciences. Dr. Natalia Kabanova returned from the XII International School of earth sciences named after Prof. L. Perchuk. The conference was held in Petropavlovsk-Kamchatsky from September 7 to 19, 2022. The conference was organized by the Institute of Volcanology and Seismology, Far Eastern Branch of the Russian Academy of Sciences, together with the Faculty of Geology of Moscow State University.

 

22 August 2022  ToposPro is now in 100 countries of the world!. A milestone is demonstrated by the distribution statistics of the ToposPro software package. At the moment, more than 5.5 thousand licenses are registered and this number is constantly growing by 120 licenses per month. The program is used by scientists and employees of educational organizations in 100 countries.

 

11 July 2022  Dr. Natalya Kabanova took part in the IV Baikal Materials Science Forum. Dr. Natalya Kabanova, Leading Engineer of the Laboratory of Crystal Chemistry and Crystal Design of the Moscow Scientific Research Center for Materials Science, made a presentation at the IV Baikal Materials Science Forum (BMSF-2022). The conference was held in the Republic of Buryatia (Ulan-Ude and the coast of Lake Baikal) from July 1 to July 7, 2022.

 

8 July 2022  The extension of the RSF 19-73-10026 grant. The Russian Science Foundation has extended its funding for the SCTMS project "Theory, methods of modeling and directional search for a new multivalent ionic conductors by crystallochemical analysis methods and quantum-mechanical modeling". The grant work under the guidance of the head of the laboratory for the synthesis of new crystalline materials, Dr. Artem Kabanov, will be carried out for another 2 years with funding of 6 million rubles per year.

 

7 July 2022  SCTMS employees made oral presentations at FPSSI-2022. Yelizaveta Morkhova and Alexander Antonyuk returned from the conference on materials for chemical power sources - the 16th International Meeting "Fundamental Problems of Solid State Ionics". The event was held at the Institute of Problems of Chemical Physics of the Russian Academy of Sciences in Chernogolovka from June 27 to July 3.

 

24 June 2022  SCTMS employees won two Provincial grants in the field of science and technology. The results of the examination of works and projects in the field of science and technology were summed up. The holders of the Provincial grants for the first half of 2022 became two employees of the SCTMS: Dr. Natalia Kabanova and Dr. Evgeniy Frolov.

 

17 May 2022  Determination of oxidation state with crystalpredictor.com. We present a new script developed by the staff of our center – OxidationStatePredictor, and a website based on it with a service for determining the oxidation state of metal atoms according to the CIF file - crystalpredictor.com.

 

23 April 2022  The work of Elizaveta Morkhova was recognized in the regional rating of young scientists and designers. Elizaveta Morkhova was included in the list of 100 winners of the competition for the appointment in 2022 of cash payments to young scientists and designers working in the Samara region and performing research and development work in priority areas for the development of science and technology for the Samara region.

 

21 April 2022  The determination of ionic conduction paths with pathfinder.batterymaterials.info. A new online service for obtaining cards using CIF or POSCAR files has been launched. The service allows you to determine all possible migration paths for the selected types of working ions.

 

7 April 2022  The project of Prof. V. Blatov was supported by the Russian Science Foundation. The scientific team of the SCTMS led by Prof. Vladislav Blatov won a grant from the Russian Science Foundation in the 2022 competition "Conducting fundamental and exploratory scientific by individual scientific groups." The study will be implemented for three years with funding of 7 million rubles per year.

 

10 February 2022  Dr. Artem Kabanov became a laureate of the Provincial Prize in the field of science and technology. Senior Researcher at the Laboratory for Mathematical Modeling of Materials Dr. Artem Kabanov was among the 20 laureates of the Provincial Prize in Science and Technology in 2021. The solemn presentation took place in the building of the Government of the Samara region on the Day of Russian Science – February 8.

 

31 December 2021  Joint project of SCTMS and ICSD. SCTMS employees have started a joint project with one of the world's most famous databases on the structure of crystalline substances – Inorganic Crystal Structure Database (ICSD), which is being developed by FIZ Karlsruhe (Germany).

 

15 December 2021  SCTMS employees took part in the Congress of Young Scientists. The Congress of Young Scientists, the central event of the Year of Science, was held at the educational center "Sirius" (in Sochi) from 8 to 10 December. SCTMS was represented at the event by the Head of the Laboratory for the Synthesis of New Crystalline Materials Dr. Eugeny Alexandrov and the Senior Researcher Dr. Artem Kabanov.

 

7 December 2021  Elizaveta Morkhova became one of the winners of the final selection for the program “UMNIK Samara Region 2021”. Elizaveta Morkhova's project became one of the 20 best ones according to the results of the competition events of the UMNIK program of the Innovation Promotion Fund. A total of 220 young scientists and entrepreneurs took part in the competition. 84 projects made it to the semifinals. Elizaveta took part in the direction "New materials and chemical technologies".

 

6 December 2021  Four projects of scientists from SCTMS were supported by the Russian Science Foundation. The projects of Prof. Alexander Krutov, Dr. Olga Blatova, Dr.Natalia Kabanova and Dr.Pavel Zolotarev received funding from the Russian Science Foundation as part of the 2021 competition "Conducting fundamental scientific research and exploratory research by small separate scientific groups."

 

28 November 2021  Alexander Antonyuk and Olga Yudova took part in the EMCPS school. Laboratory assistants-researchers of SCTMS Olga Yudova and Alexander Antonyuk took part in the work of the school for young scientists "Electroactive materials and chemical sources of current" (EMCPS), which was held on the basis of the Technopark "Mendeleev Center" at the Mendeleev University of Chemical Technology of Russia from 18 to 21 November 2021. Alexander became the winner of the report competition.

 

23 November 2021  SCTMS employees took part in the international school-conference at Skoltech. Olga Yudova, Evgeny Frolov, Elizaveta Morkhova and Alexander Antonyuk returned from the VI International School-Conference for Young Scientists "Solid stet chemistry in applying to materials of electric batteries", which was held at SkolTech from November 12 to 16, 2021.

 

1 November 2021  Two SCTMS employees are winners of the contest “Young researcher – 2021”. Among the laureates of the regional competition "Young Researcher 2021" there are two employees of SCTMS – Elizaveta Morkhova and Dr. Eugeny Alexandrov.

 

26 October 2021  The state registration of the PATHFINDER program. The certificate (No. 2021663885) of state registration of the program "PATHFINDER: the analysis of ion diffusion in crystals" in the Federal Service for Intellectual Property of Russia (ROSPATENT) was received. Tags: Rospatent

 

29 September 2021  SCTMS employees spoke at the international conference in Ufa. Prof. Vladislav Blatov, Dr. Artem Kabanov and Elizaveta Morkhova returned from the XVI international conference "Actual problems of energy conversion in lithium electrochemical systems", which was held from 20 to 24 September in Ufa, on the basis of the Ufa Institute of Chemistry of the Ufa Federal Research Center of the Russian Academy of Sciences.

 

15 September 2021  Dr. Eugeny Alexandrov and Elizaveta Morkhova performed at Mendeleev 2021. Our employees took part in the XII International Conference of Young Scientists "Mendeleev 2021", which was held in St. Petersburg from 6 to 10 September. Elizaveta Morkhova and Dr. Eugeny Aleksandrov made oral presentations in the section "Computer modeling and chemical informatics". Eugeny’s report was recognized as the best in the section. He was presented with an XP-PEN Deco Pro Medium graphics tablet for graphics and illustrations.

 

20 August 2021  Dr. Taras Panikorovsky and Ivan Kuporev visited SCTMS during a working trip. From 11 to 18 August, the head of the laboratory of nature-like technologies and technosphere safety of the Arctic of the Federal Research Center of the KSC RAS, Dr. Taras Panikorovsky and 3rd year student of St. Petersburg State University (specialty "Geology") Ivan Kuporev. During the trip, current projects were discussed and the stages of future cooperation were outlined.

 

18 August 2021  State registration of batterymaterials.info. The certificate (№ 2021621557) of official registration of batterymaterials.info database was received at the Federal Service for Intellectual Property of Russia (Rospatent). Tags: Rospatent

 

13 July 2021  SCTMS employees took part in the X National Crystal Chemical Conference. From 5 to 9 July 2021, the X National Crystal Chemical Conference was held in the village of Terskol (Elbrus region). The participation of Prof. Vladislav Blatov in the program and organizing committees, two oral and three poster presentations, the victory of Yelizaveta Morkhova in the poster competition, this is the contribution to the work of the conference and the results of our employees.

 

13 July 2021  The extension of the RSF 18-73-10116 grant. The Russian Science Foundation has extended its funding for the SCTMS project "Methods for the topological design of coordination polymers". The grant work under the guidance of the head of the laboratory for the synthesis of new crystalline materials, Dr. Eugeny Alexandrov, will be carried out for another 2 years with funding of 6 million rubles per year.

 

10 July 2021  Artem Kabanov won the regional grant. The scientific research by Artem Kabanov "The search and identification of new ion-conducting materials for metal-ion batteries and solid oxide fuel cells" was supported by the Regional Science and Technology Grant.

 

8 June 2021  RSC Horizon Prize 2021 has been awarded to our scientists. Prof. Vladislav Blatov and Prof. Davide Proserpio, together with the research team of Prof. Michael Anderson from the University of Manchester, received the Horizon Prize 2021 from the Royal Society of Chemistry (UK) in the Materials Chemistry Division for the development of a universal computer program for simulating the growth of crystals CrystalGrower.

 

4 June 2021  Prof. V. A. Blatov became the editor-advisor of the STAM-M journal. Prof. Vladislav Blatov officially became the member of the editorial board of the new journal Science and Technology of Advanced Materials: Methods (abbreviated as STAM Methods or STAM-M), which is a satellite of the journal Science and Technology of Advanced Materials (STAM). The journal is published by the international publishing house Taylor & Francis and the National Institute for Materials Science (Japan).

 

1 May 2021  Dr. Eugeny Alexandrov gave a lecture at the Qubit festival. The head of the laboratory for the synthesis of new crystalline materials, Dr. Eugeny V. Alexandrov, was among the lecturers of the 4th festival of STEAM professions Qubit, aimed at high school students, university students and people interested in exact sciences, technology, engineering and mathematics.

 

1 May 2021  New samples of metal-organic coordination compounds were examined at INEOS RAS. On April 11–17, Dr. Eugeny Alexandrov and Dr. Andrey Sokolov being at the INEOS RAS from of carried out X-ray diffraction studies of the samples of metal-organic coordination compounds obtained at the SCTMS.

 

15 February 2021  Dr. Eugeny Alexandrov became the Laureate of the Gubernia’s (Governoral) Award in Science and Technology. The head of the laboratory for the synthesis of new crystalline materials, Dr. Eugeny Alexandrov, became one of 20 laureates of the Gubernia’s Award in Science and Technology in 2020. The ceremony took place on February 8, the Day of Russian Science.

 

10 February 2021  State registration of Find Topology. The certificate (№ 2021611244) of official registration of the Find Topology script was received with the Federal Service for Intellectual Property of Russia (Rospatent). Tags: Rospatent

 

2 February 2021  The journal Computational Materials (Nature’s partner group) published an article by the staff of SCTMS. The results of the work on the study of carbon allotropes, carried out by the staff of SCTMS in collaboration with scientists from the Northwestern Polytechnical University (NPU, Xi'an, China), were published in the npj Computational Materials (5-Year Impact Factor: 11.282), which is one of the most prestigious scientific journals being published by Nature Publishing Group.

 

30 December 2020  SCTMS conducts research using TGA now. A new equipment has appeared in the laboratory for the synthesis of new crystalline materials – a thermogravimetric analyzer TGA 2 METTLER TOLEDO (Switzerland).

 

30 December 2020  Joint PhD program: NWPU – Samara Polytech. Professor Vladislav Blatov was officially certified by the Northwestern Polytechnical University (NWPU, Xi'an, China) to lead the university's graduate students. The leadership will be carried out jointly with Professor Junjie Wang.

 

14 December 2020  The SCTMS project received support from the RFBR and the National Natural Science Foundation of China. The project of the director of SCTMS Prof. Vladislav Blatov became one of 60 winners of the fundamental projects competition of the RFBR and the National Natural Science Foundation of China. All in all there were 306 applications. The research team of the center will predict new inorganic electrides.

 

28 November 2020  Ilya Bezuglov and Dr. Evgeniy Frolov participated in the scientific school in Skoltech. Ilya Bezuglov and Evgeniy Frolov became participants of the V International Conference of Young Scientists 2020 "Topical problems of modern electrochemistry and electrochemical materials science" (practical aspects). The conference was held from 13 to 17 November at the Skoltech Center for Energy Science and Technology (CEST).

 

23 November 2020  Prof. Vladislav Blatov made a speech at the 19th USPEX workshop. Professor Vladislav Blatov took part in the 19th USPEX workshop on November 12th and gave an invited lecture "Topological model of solid-state transformations and generating new crystal structures". The seminar was held from 11 to 13 of November 2020 at the Skolkovo Institute of Science and Technology and was organized online for the first time.

 

20 November 2020  Mikhail Smolkov is the winner of the competition “УМНИК” (“UMNIK”). The project of Mikhail Smolkov, the employee of the Laboratory of Mathematical Modeling of Materials of SCTMS will be financed under the "UMNIK" program within the national program “Digital Economy of the Russian Federation”.

 

4 November 2020  The research team of SCTMS became the finalist of the Russian Foundation for Basic Research “Expansion”. The Russian Foundation for Basic Research has supported the application of Professor Vladislav Blatov in the competition for financial support for the preparation and publication of scientific review articles in 2020 ("Expansion").

 

30 October 2020  Yelizaveta Morkhova carried out the work on the synthesis at the Institute of Chemistry of the Komi SC UB RAS. From October 1 to 8, 2020 Yelizaveta Morkhova, junior researcher at SCTMS, carried out research and synthesis work at the Institute of Chemistry of the Komi Scientific Center of the Ural Branch of the Russian Academy of Sciences (in Syktyvkar) as part of a business trip.

 

26 September 2020  Eugeny Alexandrov represented Russia at the BRICS Young Scientists Forum. Eugeny Alexandrov, an employee of the SCTMS, became one of 15 participants representing Russia at the Fifth Forum of Young Scientists from the countries of BRICS. Eugeny was nominated as a candidate by the Samara Polytech administration. The forum was held from 21 to 25 September in the video conference mode.

 

14 September 2020  Our article is now in the collection of topical articles of Chemical Communications. An article by SCTMS staff "Topology versus porosity: what can reticular chemistry tell us about free space in metal-organic frameworks?" was highly commended by the ChemComm editors and added to the online collection of "hot" publications and studies.

 

7 September 2020  Prof. Vladislav Blatov: “I focused on the integration of education and science”. The director of the Samara Center for Theoretical Materials Science, Professor Vladislav Blatov, became the head of the Department of General and Inorganic Chemistry of the Chemical-Technological Faculty (CTF) of the Samara State Technical University (Samara Polytech).

 

25 August 2020  A new method of generating crystal structures was patented. Professor Vladislav Blatov and his colleagues from Skolkovo Institute of Science and Technology, Professor Artem Oganov and Pavel Bushlanov received a patent for the invention of a method for generating a random crystal structure using a database of periodic nets. Tags: Rospatent

 

25 August 2020  Publication of SCTMS employees in the collection of topical articles CrystEngComm. The article of our employees "The CSD and knowledge databases: from answers to questions" was included in the themed collection of CrystEngComm HOT articles. The publication discusses a number of problems related to machine learning and database screening.

 

24 August 2020  PhD student and employee of SCTMS Yelizaveta Morkhova received grant support from RFBR. The application of Yelizaveta Morkhova (scientific supervisor – Prof. Vladislav Blatov) was included in the list of supported projects in the 2020 competition for the best projects of fundamental scientific research carried out by young scientists studying in graduate school.

 

12 August 2020  The publication of our employees was included in the PCCP’s HOT Articles. The article "Crystal structure and migration paths of alkaline ions in NaVPO4F", published on June 25 in "Physical Chemistry Chemical Physics" was included in the themed collection of the most relevant articles of 2020 according to the editors of the journal.

 

16 June 2020  Determining crystal structure topology with topcryst.com. Our team has developed a free online service for determining the topology of the crystal structure from a CIF file. The procedure for determining the topology includes the following stages:

 

13 April 2020  Eugeny Alexandrov won the competition of young scientists and designers of the Samara region. Eugeny Alexandrov was among the 100 winners of the competition for scientists and designers working in the Samara region in priority areas for the development of science and technology for the region.

 

6 March 2020  Eugeny Alexandrov and Artem Kabanov at a workshop at the LPI RAS. On February 19, 2020 a workshop was held in the Samara branch of the Lebedev Physical Institute of the Russian Academy of Sciences (LPI RAS). The workshop discussed the reports of the employees of the SCTMS Eugeny Alexandrov and Artem Kabanov.

 

21 February 2020  Young scientists from the ISSC SB RAS have had an internship at SCTMS. From February 10 to 20, Dr. Darya Semykina and Alexander Shindrov, the employees of the Group of Materials for Lithium-ion Batteries of the Institute of Solid State Chemistry and Mechanochemistry of the Siberian Branch of the Russian Academy of Sciences (ISSC SB RAS, Novosibirsk) have passed the internship program at the SCTMS.

 

17 February 2020  Yelizaveta Morkhova received the prize for the best project in “Battery Innovation 2020”. SCTMS employees took part in the II international scientific and technical conference “Battery Innovation 2020”, which was held on February 13-14, 2020 at the Zhigulevskaya Dolina Technopark (Togliatti).

 

10 February 2020  Prof. Vladislav Blatov awarded the Governor’s Prize. Director of the SCTMS, Prof. Vladislav Blatov received the prize of the Governor of the Samara region. The award took place on the eve of the Day of Russian Science – February 7, 2020 in Samara Opera and Ballet Theatre.

 

10 February 2020  SCTMS opens a laboratory at the LPI RAS. Four SCTMS employees were hired by the Samara branch of the Lebedev Physical Institute of the Russian Academy of Sciences (LPI RAS). At the moment, cooperation has begun with the laboratory for modeling and automation of laser systems (Head of the laboratory – S. P. Kotova). The organization of a laboratory of theoretical materials science is in progress.

 

19 December 2019  Congratulations to Falk Meutzner on his successful Ph.D. defense!. On December 6, 2019, Falk Meutzner successfully defended his doctoral thesis “Crystal-chemical algorithms for the identification of potentially cation-conducting materials from crystallographic databases”. Dissertation advisor – Dr. Tilmann Leisegang. Prof. Vladislav Blatov, Director of the SCTMS, and Thomas Doert, Chair of Inorganic Chemistry at Dresden University of Technology, were the external reviewers of the doctoral thesis.

 

14 December 2019  Ekaterina Barabanova conducted research at the INEOS RAS (Moscow). Ekaterina Barabanova, SCTMS research assistant, returned from a week-long internship to Moscow. From November 25 to December 5, she conducted a number of studies and training experiments at A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences (INEOS RAS) and visited the Kurchatov Institute.

 

10 December 2019  Dr. Tilmann Leisegang’s article in top the most viewed pages in Frontiers in Chemistry. An article by Dr. Tilmann Leisegang and his working group, co-authored with the employees of the SCTMS about aluminum-ion batteries, has become the most viewed article in Frontiers in Chemistry. Published on May 1, 2019, the article “The Aluminum-Ion Battery: A Sustainable and Seminal Concept?” was total views 11,121 on December 5.

 

5 December 2019  Dr. Matthew Addicoat and Dr. Dinga Wonanke of the University of Nottingham Trent are visiting and working at the SCTMS.. Dr. Matthew A. Addicoat and Dr. Dinga Wonanke A.D., researchers from the Nottingham Trent University (NTU, UK), arrived at the SCTMS for continuing work on a project supported by the RFBR and the Royal Society of London. The grant related to the study of microporous framework materials. Their visit is from December 1 to 7.

 

3 December 2019  Prof. Vladislav Blatov made a plenary report at the conference “Crystal chemistry in space and time” (Lomonosov Moscow State University). Prof. Vladislav Blatov, the director of SCTMS, took part in scientific readings dedicated to the 70th anniversary of the Department of Crystallography and Crystal Chemistry of the Geological Faculty of Lomonosov Moscow State University and the 110th anniversary of its founder, Corresponding Member of the Russian Academy of Sciences G. B. Bokiya "Crystal chemistry in space and time". The conference was held on November 29, 2019.

 

16 November 2019  Dr. Eugeny Alexandrov came back from a business trip to Milan. From October 13 to 26, the Head of the Laboratory for the synthesis of new crystalline materials of the SCTMS Dr. Eugeny Alexandrov was on a business trip at the University of Milan (Italy). Together with Prof. Lucia Carlucci and Prof. Davide Proserpio, a number of works on coordination polymers were carried out.

 

7 November 2019  Prof. Vladislav Blatov spoke at SciCraft. On November 5, Prof. Vladislav Blatov gave a public lecture at the plenary day of the SciCraft-Samara – School of Scientific Crafts. A three-day intensive for young scientists on the skills necessary for a successful career in science takes place at the Samara University from November 5 to 7, 2019.

 

7 November 2019  Dr.Eugeny Alexandrov took part in EuroMOF 2019. The Head of the Laboratory for the synthesis of new crystalline materials of the SCTMS Dr. Eugeny Alexandrov gave a poster presentation at the 3rd International Conference on Metal Organic Frameworks and Porous Polymers (EuroMOF), which was held from October 27 to 30 in Paris (France).

 

28 October 2019  Meeting with NWPU Management. During the October visit to Northwestern Polytechnical University (NWPU, Xi'an, China), the director of SCTMS, Prof. Vladislav Blatov, took part in a meeting with the vice president of the NWPU, Prof. Weihong Zhang and the heads of the university departments.

 

24 October 2019  Artem Kabanov is back with MAPPIC-2019. Artem Kabanov, a senior researcher at the SCTMS, have presented an oral report at the First Moscow Autumn Perovskite Photovoltaics International Conference (MAPPIC-2019), which was held October 14–15, 2019 at the Lomonosov Moscow State University.

 

14 October 2019  Prof. Vladislav Blatov and Alexander Shevchenko are participants of ISCSP & AM. Prof. Vladislav Blatov, the director of SCTMS, and Aleksandr Shevchenko, a senior researcher scientist at the SCTMS, took part in the 1st International Symposium on Computational Structure Prediction and Advanced Materials (ISCSP & AM), which was held from October 9 to 12 in Xi’an (China).

 

7 October 2019  Artem Kabanov took part in HTSSC-2019. Artem Kabanov, a senior researcher at the SCTMS, made an oral presentation at the III All-Russian Conference with international participation "Hot Topics in Solid State Chemistry: from New Ideas to New Materials", which was held from October 1 to 5, 2019 in Novosibirsk (Russia).

 

26 September 2019  Congratulations to Andrey Golov on successful Ph.D. defense. On September 25, 2018, Andrey Golov, a junior research scientist of Samara Center for Theoretical Materials Science, successfully passed Ph.D. defense (dissertation advisor – Prof. Vladislav Blatov).

 

17 September 2019  The delegation of the SCTMS researchers has come back from Saint Petersburg. SCTMS researchers took part in the XXI Mendeleev Congress on General and Applied Chemistry (Saint Petersburg, September 9 - 13, 2019), which is one of the main events of the International Year of the Periodic Table of Chemical Elements, proclaimed by the UN in December 2017.

 

29 August 2019  SCTMS scientists took part in ECM32. Eugeny Alexandrov, Yelizaveta Morkhova and Ekaterina Vaganova took part in the 32nd European Crystallographic Meeting (ECM32), which was held on August 18-23, 2019 at the University of Vienna (Vienna, Austria).

 

12 August 2019  Report by Dr. Evgeny A. Pidko “Operando description and modeling of catalytic systems”. On August 9  2019, at SCTMS Dr. Evgeny A. Pidko gave the report “Operando description and modeling of catalytic systems”. He shared the practical problems of experimental and theoretical studies of catalysis.

 

6 August 2019  The CIF format extension developed at the SCTMS  is published on the IUCr official website. Information on the topology and topological properties of crystalline structures can now be stored in the CIF-format (Crystallographic Information File). The release of a special dictionary describing the topology took place on July 17 on the website of the International Union of Crystallographers.

 

25 July 2019  Research paper of SCTMS scientists published in Journal of the American Chemical Society. The research paper “Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion” (doi: 10.1021/jacs.9b05232) has been issued in Journal of the American Chemical Society.

 

17 July 2019  Natalia Kabanova took part in the International Сonference on Сrystal chemistry, Х-ray and Spectroscopy of Minerals. Natalya Kabanova, leading engineer at the SCTMS, returned from the XIX International Сonference on Сrystal chemistry, Х-ray and Spectroscopy of Minerals (July 2–6, Apatity, Murmansk region).

 

10 July 2019  Albina Gurskaya returned from RASPA-workshop. Albina Gurskaya, a senior research scientist of Samara Center for Theoretical Materials Science took part in the RASPA School/Workshop that was held on July 1–4, 2019 in Wrocław (Poland).

 

7 July 2019  Employees of SCTMS took part in VASP training school (Rennes, France). Albina Gurskaya and Mikhail Frolov took part in the International scientific school on quantum mechanical modeling, which was held from 26 to 29 June 2019 in Rennes (France).

 

2 July 2019  SCTMS employees won two youth grants Russian Science Foundation (RSF). The projects of Artyom Kabanov and Pavel Zolotarev get funding according to the results of the 2019 competition for grants from the Russian Science Foundation (RSF). Pavel became a finalist in a competition to support initiative research of young scientists; Artyom’s application won a competition to support research of research groups under the guidance of young scientists. Both RSF events are part of the Presidential Research Projects Program.

 

20 June 2019  1st International School on Advanced Porous Materials (Como, Italy). Prof. Vladislav Blatov, the director of SCTMS with the Scientific Advisor Prof. Davide M Proserpio participate as invited speakers at the 1st International School on Advanced Porous Materials, which takes place in Como (villa del Grumello, Italy) from 17 to 21 June 2019.

 

23 April 2019  Participation of SCTMS employees in AYSS-2019. Young scientists of SCTMS - senior researcher Roman Eremin and junior researcher Pavel Zolotarev participated in the XXIII International Conference of Young Scientists and Specialists (AYSS-2019, April 15-19, Dubna) organized by the association of young scientists and specialists of the Joint Institute for Nuclear Research.

 

10 April 2019  Dr. Evgeny Alexandrov and Prof. Davide Proserpio were lecturers of a scientific school in Stockholm. Dr. Evgeny Alexandrov and Prof. Davide Proserpio held a series of workshops and lectures for the participants of the “School on Reticular Chemistry: description and design of framework materials”, which was held from March 27 to April 2 at Stockholm University (Sweden).

 

8 April 2019  Extension of grant financing from the Russian Science Foundation (RSF). The project of SCTMS “Hybrid topological-quantum-chemical methods for prediction of adsorption, catalytic, and sensor properties of microporous framework and low-dimensional materials” (2016-2018) was successfully completed and was highly appreciated by RSF experts. The application for the extension of the project for two years (2019-2020) was supported with maximum funding.

 

7 April 2019  Dr.Evgeny Alexandrov finished a long-term business trip to Milan. The Head of the Laboratory for the Synthesis of New Crystalline Materials of the SCTMS Dr. Eugeny Alexandrov performed the synthesis of coordination polymers at the University of Milan (Italy) from March 4 to 26. The work was carried out in collaboration with Prof. Lucia Carlucci and Prof. Davide Proserpio.

 

29 March 2019  The project of Dr. Evgeny Alexandrov received grant support from the President of the Russian Federation. The application of Dr.Evgeny Alexandrov was among the winners of the 2019 competition in state support of young Russian PhD scientists in the direction of “Chemistry, new materials and chemical technologies”. The application from SCTMS of Samara Polytech was the only among the winners in this direction from Samara.

 

25 March 2019  Professor V.A. Blatov is visiting NWPU. Prof. Vladislav Blatov, the director of SCTMS, is visiting Northwestern Polytechnical University (NWPU) (Xian, China). In 2018, an agreement on the establishment of the China-Russia Joint Innovation Center at the Samara State Technical University (Samara Polytech) and NWPU. Within the research program of this center, current visit is dedicated to development of contacts between SCTMS and different NWPU research groups.

 

15 March 2019  Dr. Evgeny Alexandrov gave the report at the seminar at the University of Turin. The Head of the Laboratory for the synthesis of new crystalline materials of the SCTMS Dr. Evgeny Alexandrov made a presentation at the scientific seminar of the Faculty of Chemistry at the University of Turin, which took place on March 11, 2019.

 

4 March 2019  SCTMS employees continue working with Dr. Tilmann Leisegang. Dr. Tilmann Leisegang from the Institute of Experimental Physics TU Bergakademie Freiberg (IEP TUBAF, Germany) is again visiting the SCTMS. His monthly stay in Samara (February 8 - March 10) is devoted to work in several scientific fields and writing a joint applications for grant funding.

 

26 February 2019  SCTMS employees spoke at the forum “Theoretical Materials Science” in Samara State Transport University. Together with SCTMS, the Samara State Transport University organized a forum “Theoretical Materials Science” within the framework of their scientific marathon. On February 22, Professor Vladislav Blatov, Dr. Evgeny Alexandrov and a SCTMS guest Dr. Tilmann Leisegang (Freiberg, Germany) gave presentations on promising developments in materials science.

 

19 February 2019  Prof. Davide Proserpio arrived in Samara. The ten-day visit of Prof. Davide Proserpio (University of Milan, Italy) to Samara relates to two areas of scientific cooperation: first, it continues the work on the kinetic 3D partition model and its use in modeling crystal growth, second, the discussion of the project on the research and design of metal-organic frameworks.

 

12 February 2019  Visit of Adam Hill and Prof. Michael Anderson to SCTMS. From February 11 to 15, our colleagues from the University of Manchester (UK), Prof. Michael Anderson and PhD student Adam Hill are working at SCTMS. Our cooperation includes the development of a unified kinetic 3D partition model to predict the growth of crystals of substances of various nature.

 

8 February 2019  Ekaterina Marchenko came to SCTMS. Ekaterina I. Marchenko, a PhD student in the Department of Crystallography and Crystal Chemistry at the Faculty of Geology of MSU (Moscow, Russia) works at SCTMS on February 5-8, 2019.

 

17 December 2018  Congratulations to Nadezhda Nekrasova on successful defence of a PhD thesis. On December 13, 2018 Nadezhda Nekrasova, a research assistant of Samara Center for Theoretical Materials Science, successfully defended her Ph.D. thesis (dissertation advisor – Prof. Svetlana Kurbatova).

 

12 December 2018  Aleksandr Shevchenko gave a guest lecture at NUMGRID 2018-Voronoi150. A senior research scientist of Samara Center for Theoretical Materials Science, Aleksandr Shevchenko took part in the 9th International Conference “Numerical Geometry, Grid Generation and Scientific Computing” (NUMGRID 2018-Voronoi150) held on December 3-5, 2018 in Moscow.

 

23 November 2018  Artem Samtsevich researching at SCTMS. On November 19-24, 2018, Samara Center for Theoretical Materials Science is hosting a PhD student and a staff member of Computational Materials Discovery Design of Skolkovo Institute of Science and Technology (Skoltech) Artem Samtsevich. His mission to SCTMS is aimed at studying tungsten borides and discussing a prospective research paper.

 

21 November 2018  SCTMS launched a public lecture course. Samara Center for Theoretical Materials Science launched the public lecture course “Methods of Theoretical Materials Science”. On November 9, 2018, Prof. Blatov gave the first lecture “The main approximations of quantum chemistry” within the course.

 

13 November 2018  Taras Panikorovsky in Samara Center for Theoretical Materials Science. Taras Panikorovsky, a junior research scientist of the Center of Nanomaterials of Kola Science Center of the Russian Academy of Sciences (KSC RAS) (Murmansk Region, Apatity) worked at SCTMS on November 5-10, 2018.

 

24 October 2018  Establishment of China-Russia Joint Innovation Center for Advanced Materials. Samara Center for Theoretical Materials Science of Samara State Technical University (Samara Polytech) concluded the agreement of cooperation with the National Engineering Research Center for Production of Ceramic Matrix Composites (PR China) and the International Institute for Materials Genome (MSEA, PR China).

 

18 October 2018  Prof. Blatov gave a report at Forum MGE in China. Within four-week business trip to China Prof. Vladislav Blatov participated in the Second Forum of Materials Genome Engineering held on October 14-16, 2018 in Beijing. More than 100 scientists from China, UK, USA, Japan and Germany took part in the forum.

 

8 October 2018  Nadezhda Nekrasova and Adrey Golov participated in the Conference of Young Scientists in Skoltech. The research scientists of SCMTS Nadezhda Nekrasova and Andrey Golov took part in 3rd International School-Conference of Young Scientists “Topical Problems of Modern Electrochemistry and Electrochemical Materials Science” held on September 23-26, 2018 in Skoltech. The conference was initiated and organized by Skoltech Center for Electrochemical Energy Storage (CEE).

 

26 September 2018  Congratulations to Pavel Zolotarev on successful Ph.D. defense. On September 25, 2018, Pavel Zolotarev, a junior research scientist of Samara Center for Theoretical Materials Science, successfully passed Ph.D. defense (dissertation advisor – Prof. Vladislav Blatov).

 

25 September 2018  Prof. Vladislav Blatov gave lectures at the 15th USPEX Workshop. Prof. Vladislav Blatov gave lectures within the 15th Workshop “Crystal structure prediction using USPEX code” (September 17-19, 2018, Skoltech, Moscow, Russia).

 

24 September 2018  Elizaveta Timofeeva took part in the International Meeting 2018 “Fundamental Problems of Solid State Ionics”. A research assistant of SCTMS, Elizaveta Timofeeva made a poster presentation at the 14th International Meeting 2018 “Fundamental Problems of Solid State Ionics” (September 9-13, 2018, Chernogolovka, Russia).

 

24 September 2018  Anna Sinelshchikova came to SCTMS. Anna Sinelshchikova, a senior research scientist of the Laboratory of New Physicochemical Problems of A.N. Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Sciences (Moscow), is currently working at Samara Center for Theoretical Materials Science.

 

21 September 2018  Prof. Davide Proserpio made a working visit to SCTMS. On September 8-16, 2018, Prof. Davide Proserpio (the University of Milan) made a working visit to Samara Center for Theoretical Materials Science. The scientists of SCTMS and Prof. Proserpio discussed several projects concerning the study of metal-organic frameworks.

 

18 September 2018  Matthew Addicoat (University of Nottingham Trent, UK) is doing research at SCTMS. A research scientist of the faculty of science and technology of the University of Nottingham Trent (UNT, UK) Dr. Matthew Addicoat arrived to Samara Center for Theoretical Materials Science to conduct the research under the project on prediction of properties of microporous framework materials. He will stay in Samara until September 15, 2018.

 

7 September 2018  Prof. Blatov is among plenary speakers of SMARTER6. Prof. Vladislav Blatov gave the plenary report on modeling methods of porous materials at the 6th SMARTER meeting held in Ljubljana (Slovenia) on September 2-6, 2018.

 

5 September 2018  Eugeny Alexandrov came back from a short-term professional trip to Milan. A senior research scientist of Samara Center for Theoretical Materials Science Eugeny Alexandrov was on a professional business trip at the University of Milan (Italy) from August 27 to September 1, 2018 for conducting a joint research of coordination polymers and preparing a research paper.

 

4 September 2018  Eugeny Alexandrov and Andrey Golov conducted research at the University Nottingham Trent. Andrey Golov and Eugeny Alexandrov, the scientists of Samara Center for Theoretical Materials Science, were on the mission to the University Nottingham Trent (UNT, UK) on August 14 to 22, 2018. The purpose of their trip was implementation of activities under the grant project funded by the Russian Foundation for Basic Research (RFBR) and the Royal Society of London.

 

30 August 2018  SCTMS scientists took part in ECM31. On August 22-27, 2018, the 31st European Crystallographic Meeting (ECM18) was held in Oviedo, Spain. Scientists of Samara Center for Theoretical Materials Science Tatiana Akhmetshina and Eugeny Alexandrov took part in ECM18 and presented their reports.

 

8 August 2018  Prof. Blatov took part in ICCC 2018. Prof. Vladislav Blatov gave a report as an invited speaker at the 43rd International Conference on Coordination Chemistry (ICCC 2018) held during July 30 to August 4, 2018 in Sendai (Japan).

 

13 July 2018  Artem Kabanov took part in ISSFIT-13. Artem Kabanov, a senior research scientist of Samara Center for Theoretical Materials Science, took part in the 13th International Symposium on Systems with Fast Ionic Transport (ISSFIT-13) held on July 3-7, 2018 in Minsk (Belorussia).

 

9 July 2018  SCTMS won a grant of Russian Foundation for Basic Research. The project of Prof. Vladislav Blatov, the director of SCTMS, entered the list of winners of the Russian Foundation for Basic Research competition of the best scientific projects of interdisciplinary basic research in the topic “Metal-organic coordination polymers – components of functional materials of new generation”.

 

9 July 2018  SCTMS won a grant of Russian Science Foundation. Dr. Eugeny Alexandrov, a senior research scientist, a head of the Laboratory of New Crystal Materials’ Synthesis of Samara State Technical University (SamaraTech) won the grant of the Russian Science Foundation (RSF) under the program “Basic research in groups under the guidance of early-career scientists”.

 

27 June 2018  Natalia Kabanova made a report at E-MRS Spring Meeting – 2018. Natalia Kabanova, a senior research scientist of Samara Center for Theoretical Materials Science took part in the European Materials Research Society (E-MRS) conference E-MRS Spring Meeting – 2018 that was held on June 16-22, 2018 in Strasbourg (France).

 

25 June 2018  Roman Eremin’s research work in Freiberg. Roman Eremin, a senior research scientist of Samara Center for Theoretical Materials Science returned from Freiberg (Germany) after a long-term mission (May 14 - June 14) to the Institute of Experimental Physics of Freiberg University of Mining and Technology (TU Bergakademie Freiberg, TUBAF).

 

18 June 2018  Artem Kabanov took part in the 52nd International School in Erice, Italy. Artem Kabanov, a senior research scientist of Samara Center for Theoretical Materials Science came back from the 52nd International School in Quantum Crystallography that was held in Erice (Italy) on June 1-10, 2018. Quantum crystallography is a field of science employing methods for obtaining crystallographic information and quantum mechanical theory.

 

14 June 2018  SCTMS scientists took part in the IX National Crystal Chemistry Conference. Seven delegates of Samara Center for Theoretical Materials Science took part in the IX National Crystal Chemistry Conference, 2018 that was held in Suzdal on June 4-8, 2018. The conference program included five oral reports of SCTMS scientists. Prof. Vladislav Blatov was a member of the program committee and a session moderator.

 

9 June 2018  International Union of Crystallography accepted CIF format extension elaborated by SCTMS. Crystallographic Information File (CIF) is a standard text file format for representing crystallographic information, promulgated by the International Union of Crystallography (IUCr). CIF stores diverse information (primarily experimental data) about crystal structures.

 

1 June 2018  Tatiana Akhmetshina and the research group of Dr. Pavlo Solokha synthesized a new intermetallic structure. Tatiana Akhmetshina, a research assistant of SCTMS, was on long-term mission (From April 16 till My 11) at the University of Genoa (Italy) where she performed synthesis of intermetallides.

 

1 June 2018  Results of the second visit of Prof. Blatov to ICDD. On May 15-29, 2018, Prof. Vladislav Blatov was on mission at the International Centre for Diffraction Data (ICDD) in Newtown, Philadelphia, USA.

 

29 May 2018  Eugeny Alexandrov and Artem Kabanov made reports at expert session at Dmitry Mendeleev University of Chemical Technology. Eugeny Alexandrov and Artem Kabanov came back from Moscow where they took part in the session “Chemical technology and new materials for military-industrial complex of Russia” held by Dmitry Mendeleev University of Chemical Technology on May 25, 2018.

 

21 May 2018  PhD Emanuele Priola interning at SCTMS. From May 8 until June 6, 2018 PhD Emanuele Priola from the University of Turin (Italy) is doing an internship under scientific supervision of Prof. Vladislav Blatov at Samara Center for Theoretical Materials Science (SCTMS).

 

18 May 2018  IUPAC commission published an article on results of its meeting in Samara in Crystal Growth & Design. On May 7, 2018, Crystal Growth & Design journal published the article on the results of IUPAC commission meeting (International Union of Pure and Applied Chemistry, IUPAC) that was held in Samara in May 2015.

 

17 May 2018  Research paper of SCTMS scientists published in Nature. The research paper «Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers» (doi: 10.1038/s41467-018-04152-5) has been issued in Nature Communications, a peer-reviewed open access journal published by the Nature Publishing Group.

 

15 May 2018  Eugeny Alexandrov participated in docMOF 2018. Senior research scientist of SCTMS Dr. Eugeny Alexandrov, Head of the Laboratory of New Crystal Materials’ Synthesis, made a report at the 1st European Doctoral Symposium on Metal-Organic Frameworks held in Raitenhaslach monastery (Germany) from April 29th to May 2nd, 2018.

 

7 May 2018  Roman Eremin and Pavel Zolotarev took part in AYSS-2018. SCTMS researchers took part in the XXII International Scientific Conference of Young Scientists and Specialists (AYSS-2018) held on April 23-27, 2018 at Joint Institute for Nuclear Research (JINR, Dubna, Russia).

 

24 April 2018  Eugeny Aleksandrov and Aleksandr Shevchenko held a lecture on big data analysis within SciCraft Samara 2018. On April 19, 2018, SCTMS scientists gave the lecture “Big data analysis and new materials design” within the Science Craft School. Audience members learnt specific aspects of working with big data in specific areas of science.

 

21 April 2018  Prof. Blatov took part in Chinese-German Symposium on Ultra-high Temperature Ceramic Matrix Composites. The Northwestern Polytechnical University organized the Chinese-German Symposium «Design Foundation of Oxidation Resistant Ultra-high Temperature Ceramic Matrix Composites Aimed for Structural Applications» on April 14-20, 2018 in Xian (PR China).

 

9 April 2018  Albina Gurskaya took part in students and young researchers conference in Tomsk. SCTMS researcher Albina Gurskaya took part in 24th Russian scientific conference for students of Physics and young researchers held on March 31 – April 7, 2018 in Tomsk.

 

3 April 2018  SCTMS at SamaraTech began synthesis of MOFs. SCTMS Laboratory of Novel Crystal Materials’ Synthesis at Samara State Technical University has been launched. Under supervision of the head of the Laboratory Dr. Eugeny Aleksandrov and head of the Department of chemistry and technologies of nitrogen compounds (DCTNC) Dr. Andrey Pimenov the synthesis of first MOFs was successfully conducted.

 

3 April 2018  Samara Center for Theoretical Materials Science established at SamaraTech. Samara Center for Theoretical Materials Science has been recently established at Samara State Technical University (SSTU).

 

23 March 2018  Roman Eremin won a grant of the Russian Foundation for Basic Research. The Russian Foundation for Basic Research supported the application of Dr. Roman Eremin, a senior research scientist of SCTMS Laboratory of Mathematical Modeling of Materials, within research contest for young scientists “My first grant”. His application 18-33-00477 joined the rank of winners.

 

16 February 2018  A research project of SCTMS funded by Russian Foundation for Basic Research and Royal Society of London. Eugeny Alexandrov, a senior research scientist of SCTMS won a grant of the Russian Foundation for Basic Research (RFBR) and the Royal Society of London. He will work on development of computer design instruments of new microporous materials in cooperation with Dr. Matthew Addicoat (Nottingham Trent University, UK).

 

12 January 2018  Research article of SCTMS scientists joined the rank of the most cited articles of the CrystEngComm Journal in 2017. The research paper «How 2-periodic coordination networks are interweaved: entanglement isomerism and polymorphism» of Dr. Eugeny Alexandrov, Prof. Vladislav Blatov and Prof. Davide M. Proserpio is among three most cited reviews dedicated to coordination polymers and metal-organic networks published in CrystEngComm in 2017.

 

11 January 2018  SCTMS team won two grants of Russian Foundation for Basic Research. SCTMS team won two grants of the Russian Foundation for Basic Research (RFBR) within call for proposals 2018 for Russian projects of basic research.

 

11 January 2018  SCTMS scientists’ research article published in the Accounts of Chemical Research. The research article of SCTMS scientists “Topology of intermetallic structures: from statistics to rational design” was published in web-version of the Accounts of Chemical Research (ACR), one of the most cited scientific journals in chemistry. Impact Factor of ACR in 2016 achieved 20.268.

 

21 December 2017  Pavel Zolotarev came back from the South Ural State University. Pavel Zolotarev, a junior research scientist of SCTMS, came back from a short visit to the South Ural State University (SUSU, Chelyabinsk, Russia).

 

20 December 2017  Denis Yablokov took part in ANM-2017. Denis Yablokov, a leading engineer of SCTMS, took part in the 12th International Scientific and Technical Conference “Analytical and numerical methods of modeling in natural-science and social issues” that was held on December 4-6, 2017 in Penza, Russia.

 

12 December 2017  Pavel Zolotarev presented his dissertation at PhD completion seminar. On December 6, 2017, the meeting of the Department of Physical Chemistry and Chromatography and SCTMS was held. Pavel Zolotarev presented his PhD dissertation at the meeting.

 

30 November 2017  The article of SCTMS researchers is among editors’ choices of CrystEngComm. The official blog of CrystEngComm posted the message “Check out our editors’ choice of recent articles” with the list of the most significant articles over the last three years. The article of SCTMS researchers is included in the list.

 

22 November 2017  Denis Yablokov’s report acclaimed as the best at NIT-2017. Denis Yablokov, a researcher of SCTMS, came back from the Russian Scientific and Technical Conference of Students, Young Researchers and Specialists “New Information Technologies in Scientific Research” (NIT-2017) that was held in Ryazan on November 15-17, 2017.

 

21 November 2017  Lecture “Non-covalent interactions with predominant electrostatic component: halogen, chalcogen, pnictogen, tetrel bonds. Searching for electronic criteria of pnictogen bonds in nitro compounds”. On November 16, 2017 Dr. Ekaterina Bartashevich gave the lecture “Non-covalent interactions with predominant electrostatic component: halogen, chalcogen, pnictogen, tetrel bonds. Searching for electronic criteria of pnictogen bonds in nitro compounds”.

 

16 November 2017  Alexei Krasnov’s report “Development of new functional materials based on doped bismuth titanate with the pyrochlore type structure” at SCTMS. On November 14, 2017 Aleksei Krasnov, a researcher of the Laboratory of Ceramic Materials Science (Institute of Chemistry, Komi Science Center of UB RAS) gave the report “Development of new functional materials based on doped bismuth titanate with the pyrochlore type structure” within his internship at SCTMS.

 

16 November 2017  Tatiana Akhmetshina is a prizewinner of the Contest “Student Award2017”. Tatiana Akhmetshina, a laboratory assistant of Samara Center for Theoretical Materials Science, took part in Samara region contest in the field of professional education development “Student Award 2017” and won a prize “Intellect-2017”.

 

11 November 2017  The report of Sergei Sobalev “Pnictogen bonds in crystals of organic nitro compounds” . On November 9, 2017 Sergei Sobalev, a research assistant of the Laboratory of multiscale modeling of multicomponent functional materials of South Ural State University, presented the report “Pnictogen bonds in crystals of organic nitro compounds” at SCTMS.

 

10 November 2017  Andrey Goltsev and Aleksandr Garin took part in EUROMOF2017. SCTMS research assistants, Andrey Goltsev and Aleksandr Garin came back from the Delft Technical University (the Netherlands) where they took part in the 2nd European Conference on Metal Organic Frameworks and Porous Polymers (EUROMOF2017).

 

9 November 2017  Research work of Prof. Vladislav Blatov and Dr. Olga Blatova in Italy. From October 28 until November 6, 2017 Prof. Vladislav Blatov and Dr. Olga Blatova, a senior research scientist, have been working in the universities of Milan and Florence (Italy) within Mega-grant of the Government of the Russian Federation.

 

3 November 2017  Business trip of Prof. Vladislav Blatov to China. From September 26 until October 25, 2017 Prof. Vladislav Blatov has been working at the Northwestern Polytechnical University (NWPU, Xian). Except academic activities Prof. Blatov conducted negotiations and lectured at the International school “Topological Methods in Materials Science”.

 

20 October 2017  International scientific school “Topological Methods in Materials Science 2017”. The International school “Topological Methods in Materials Science” conducted on October 13-15, 2017 in Guangyang district of Lanfang, Hebei Province of China has concluded its work. The school was the first official event held in newly constructed scientific center – technopolis and business incubator TusPark of Tsinghua University.

 

20 October 2017  SCTMS members published research paper in Scientific Reports. The results of the research work conducted by SCTMS staff members in cooperation with the University of Pavia (Italy) and the University of Vienna (Austria) were published in Scientific Reports, one of the most prestigious scientific journals from the publishers of Nature.

 

17 October 2017  Artem Kabanov presented a plenary report at the conference of All-Russian Institute of Aviation Materials. SCTMS staff members (Dr. Artem Kabanov, Dr. Roman Eremin and Prof. Alexander Krutov) took part in the Russian national scientific and technical conference “Modern developments in metal science, casting technology, deformation, heat treatment and corrosion protection of light metal alloys”.

 

13 October 2017  Pavel Zolotarev and Roman Eremin came back from the 21st International Scientific Conference of Young Scientists and Specialists of JINR. SCTMS researchers took part in the 21st International Scientific Conference of Young Scientists and Specialists organized by the Association of Young Scientists and Specialists (AYSS) of the Joint Institute for Nuclear Research (JINR, Dubna).

 

11 October 2017  Tatiana Akhmetshina reported at the Intermetallics 2017. On October 2-6, 2017, Bad Staffelstein (Germany) gathered together experts in chemistry of intermetallics for the International Conference and School Intermetallics 2017. Tatiana Akhmetshina made an oral contribution to the conference program.

 

5 October 2017  Artem Kabanov participated in the International School on LOBSTER program. On September 25-29, the International School “Explicit Chemical-Bonding Analysis of Materials from High-Performance First-Principles Simulations” on research methods of chemical bonds applying LOBSTER computer program was held in Jülich, Germany. Dr. Artem Kabanov, a senior research scientist of SCTMS, took part in the school.

 

5 October 2017  Roman Eremin took part in MSSC2017. Roman Eremin, a researcher of Samara Center for Theoretical Materials Science, took part in MSSC 2017 “Ab initio Modelling in Solid State Chemistry” that was held on September 18-22, 2017 in London.

 

5 October 2017  Artem Kabanov reported on NGC2017. Dr. Artem Kabanov took part in the International Forum “Nano & Giga Challenges in Electronics, Photonics and Renewable Energy” (Nano & Giga Forum) that was held on September 18-22, 2017 in Tomsk concurrently with the Conference “Current Trends in Radio Physics”.

 

3 October 2017  Natalia Kabanova participated in the International conference in Skoltech. SCTMS researcher Natalia Kabanova came back from the 2nd International conference “Topical Problems of Modern Electrochemistry and Electrochemical Materials Science”. The conference organized by the Skoltech Center for Electrochemical Energy Storage and Lomonosov Moscow State University was held on September 17-20, 2017 in Moscow.

 

3 October 2017  Elizaveta Timofeeva is a prizewinner in the poster competition at the First International Conference on Intellect-intensive Technologies in Power Engineering. Elizaveta Timofeeva, a research assistant of SCTMS, took part in the First International Conference on Intellect-intensive Technologies in Power Engineering (physical chemistry and electrochemistry of molten and solid electrolytes) that was held on September 18-22 in Yekaterinburg, Russia.

 

3 October 2017  Tatiana Akhmetshina and Andrey Goltsev joined the ranks of 300 best students and postgraduates of Russia. Research assistants of SCTMS Tatiana Akhmetshina and Andrey Goltsev became scholars of the Russian Federation President. The Selection Committee of the Ministry of Education and Science of Russia published the list of winners who showed considerable academic and scientific achievements.

 

3 October 2017  Prof. Davide M. Proserpio and Dr. Eugeny Alexandrov took part in IWSN2017. The International school for young researchers “Smart Nanomaterials” was held on September 11-15, 2017 in Rostov-on-Don. Prof. Davide M. Proserpio participated as an invited speaker; Dr. Eugeny Alexandrov was among the participants.

 

12 September 2017  Andrey Golov and Pavel Zolotarev came back from «EuCo-TCC 2017». SCTMS researchers, Andrey Golov and Pavel Zolotarev participated in the 11th European Conference on Theoretical and Computational Chemistry (EuCo-TCC). The conference was held on September 4-7, 2017 in Barcelona (Spain).

 

8 September 2017  The Congress and General Assembly of the International Union of Crystallography 2017 (Hyderabad, India). Prof. Vladislav Blatov and Dr. Eugeny Alexandrov took part in the XXIV Congress and General Assembly of the International Union of Crystallography 2017 (IUCr). The Congress was held in Hyderabad International Convention Center on August 21-28, 2017.

 

7 September 2017  Elizaveta Timofeeva took part in ECSSC 2017. Elizaveta Timofeeva took part in the 16th European Conference on Solid State Chemistry (ECSSC) held on July 23-26, 2017 at the University of Strathclyde in Glasgow.

 

6 September 2017  Ekaterina Kuznetsova participated in FEZA 2017. Ekaterina Kuznetsova, a research assistant of SCTMS, took part in the 7th FEZA Conference “The ZEOLITES: Materials with Engineered Properties” that was held on July 3-7, 2017 in Sofia (Bulgaria).

 

6 September 2017  Nadezhda Nekrasova took part in the HPLC 2017. Nadezhda Nekrasova took part in the 45th International Symposium on High Performance Liquid Phase Separations and Related Techniques (HPLC 2017, Prague, Czech Republic).

 

5 September 2017  Prof. Davide M. Proserpio reported on American Chemical Society National Meeting. Prof. Davide M. Proserpio delivered an oral report on the 254th National Meeting and Exposition of the American Chemical Society held on August 20-24, 2017 in Washington.

 

31 August 2017  Prof. Davide Proserpio and Andrey Golov participated in ACNS’2017. Prof. Davide M. Proserpio and Andrey Golov participated to the ACNS'2017, 13th International Conference on Advanced Carbon NanoStructures, held in Saint Petersburg on July 3-7, 2017.

 

17 August 2017  Three researchers of SCTMS are winners of the contest “Young researcher – 2017”. Tatiana Akhmetshina, Nadezhda Nekrasova and Artem Kabanov became winners of Samara regional contest “Young researcher – 2017”.

 

12 July 2017  D. Sineglazov gave the report “Modelling of magnetoelastic effect in copper beryllium alloys”. On July 11, 2017 D.S. Sineglazov, an expert in modelling with density functional method, presented the report “Modelling of magnetoelastic effect in copper beryllium alloys” at Samara Center for Theoretical Materials Science. The authors: Prof. A.V. Pokoev - head of the department of solid state physics, D.S. Sineglazov – a graduate of the master’s degree program “Condensed matter physics”.

 

2 July 2017  Prof. Davide Proserpio in Samara. Scientific advisor of the Russian Government’s Megagrant, Prof. Davide Proserpio arrived to SCTMS on a working visit. His mission will last from June 26 till July 2, 2017.

 

27 June 2017  International school “ToposPro & 13th USPEX Workshop”: the outcomes. The International school “ToposPro & 13th USPEX Workshop” conducted on June 16-20, 2017 in Shanghai has concluded its work. The school provided the participants with a unique opportunity to become familiar with the two advanced software packages being currently applied in materials science.

 

26 June 2017  PhD student from Skoltech conducted research at SCTMS. Artem Samtsevych, a PhD student of Skolkovo Institute of Science and Technology (Skoltech) and a member of the Laboratory of Computational Materials Design USPEX, has worked at Samara Center for Theoretical Materials Science. His 10-day research trip was focused on advanced study of ToposPro software package.

 

7 June 2017  Research trip of Eugeny Alexandrov in Milan. Dr. Eugeny Alexandrov, a senior researcher of SCTMS, came back from the research trip to the University of Milan (Italy). From April 2 to May 20, 2017, he worked at the Laboratory of Dr. Lucia Carlucci and jointly with Prof. Davide M. Proserpio conducted the workshop on ToposPro at one of the European research centers.

 

5 June 2017  Prof. Vladislav Blatov made a report at scientific workshop at Lomonosov Moscow State University. On May 22, 2017, Prof. Vladislav Blatov held the scientific workshop “Computer topological analysis in crystal chemistry - theory and practice” at Lomonosov Moscow State University.

 

1 June 2017  Tatiana Akhmetshina studied intermetallides in Genoa (Italy). Tatiana Akhmetshina, SCTMS researcher, came back from the research trip to the University of Genoa (Italy). The goal of her visit was to conduct research and synthesis of intermetallic compounds jointly with Dr. Pavlo Solokha, Associate Professor of the Department of Chemistry and Industrial Chemistry, and his research team.

 

22 May 2017  Workshop on ToposPro in Switzerland. Prof. Davide M. Proserpio and Dr. Eugeny Alexandrov conducted a three days’ workshop on ToposPro at the Laboratory of Modelcular Simulation of École Polytechnique Fédérale de Lausanne EPFL Valais Wallis (Sion, Switzerland).

 

19 May 2017  State registration of Samara Carbon Allotropes Database. Samara Carbon Allotropes Database has been registered by Federal Service for Intellectual Property (Rospatent). The database contains data about all known 3-periodic carbon allotropes based on all available research papers from scientific databases Web of Science and Scopus. Tags: Rospatent

 

2 May 2017  Prof. Blatov began lecturing at the Northwestern Polytechnical University (China). Prof. Blatov came back from a working visit to the Northwestern Polytechnical University (NPU, Xian, Shaanxi, China). During his visit (April 12-25, 2017) he began the lecture course in crystal chemistry and outlined the plan of research work with students of NPU.

 

22 April 2017  Tatiana Akhmetshina is a winner of Samara Regional Student Scientific Conference. Tatiana Akhmetshina, a SCTMS researcher, took the first place at the 43rd Samara Regional Student Scientific Conference with the report “Nanocluster analysis of intermetallides: collection of nanocluster topological types (TTN) and its application” (scientific adviser – Prof. Vladislav Blatov) presented at the session “Physical, analytical chemistry and chromatography”.

 

5 April 2017  Samara Region Governor Nikolai Merkushkin had a meeting with SCTMS director Prof. Vladislav Blatov. On April 4, 2017, Samara Region Governor Nikolai Merkushkin had a meeting with the director of Samara Center for Theoretical Materials Science Prof. Vladislav Blatov.

 

3 April 2017  The first article with SCTMS participation published in Nature!. Today, on April 3, 2017 an article was published with the participation of the SCTMS researchers "Predicting crystal growth via a unified kinetic three-dimensional partition model" in the oldest and influential international journal of science “Nature”.

 

28 March 2017  Research trip to INEOS RAS. Eugeny Alexandrov and Andrey Golov, SCTMS researchers, came back from A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences (INEOS RAS). During March 20-24, SCTMS researchers worked at integration of instruments for electron density and atomic interaction analysis to the expert system.

 

22 March 2017  Cooperation with the International Centre for Diffraction Data (ICDD, USA). Professor Vladislav Blatov took part in the 2017 Spring Meetings of the International Centre for Diffraction Data (ICDD, USA). His participation has resulted in preliminary agreement on inclusion of topological information into databases of ICDD and Prof. Blatov’s membership in the ICDD.

 

6 March 2017  Falk Meutzner will be enrolled in a Ph.D. program. At present the application documents of Falk Meutzner, the researcher of TU Bergakademie Freiberg (TUBAF, Germany), is in progress for enrollment in the Ph.D. program of Samara University. Professor Vladislav Blatov will be the scientific supervisor of Mr. Meutzner.

 

1 March 2017  Dr. Tilmann P. Leisegang arrived to SCTMS on a working visit. Dr. Tilmann Leisegang (TU Bergakademie Freiberg) arrived to SCTMS on a ten-day working visit. He will stay in Samara till March 4, 2017.

 

28 February 2017  Prof. Vladislav Blatov made a report at the All-Russian Scientific Research Institute of Aviation Materials. On February 21, 2017, the director of Samara Center for Theoretical Materials Science Prof. Blatov made a report at the All-Russian Scientific Research Institute of Aviation Materials (VIAM).

 

21 February 2017  The Conference of SCTMS researchers. On February 15, 2017, the scientific conference of SCTMS researchers was held. SCTMS researchers presented their projects and studies, which are being implemented within nine areas.

 

20 February 2017  Prof. Davide M. Proserpio arrived to SCTMS on a working visit. Scientific advisor of Samara Center for Theoretical Materials Science Prof. Proserpio arrived to Samara on a weeklong working visit.

 

8 February 2017  Prof. Blatov will give a plenary lecture at ICDD Spring meetings-2017. The organizing committee of the International Centre for Diffraction Data (ICDD) Spring Meetings invited Prof. Blatov to give a plenary lecture.

 

6 February 2017  SCTMS researcher is a winner of Samara Region Governor Award. Tatiana Akhmetshina, one of the young researchers of Samara Center for Theoretical Materials Science, won the prize of Samara Region Governor for her achievements in scientific work.

 

6 February 2017  Vladislav Blatov invited as a keynote speaker at the 24th Congress and General Assembly of the International Union of Crystallography. The director of SCTMS Prof. Vladislav Blatov will represent Russia as a keynote speaker at the 24th Congress and General Assembly of the International Union of Crystallography.

 

22 December 2016  Eugeny Alexandrov and Andrey Golov came back from research trip to INEOS RAS.. Eugeny Alexandrov and Andrey Golov, SCTMS researchers, were conducting research at A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences (INEOS RAS) on December 1-9, 2016.

 

9 December 2016  Prof. Vladislav Blatov won Highly Cited Researcher Russia Award-2016. Prof. Blatov became a winner of Highly Cited Researcher Russia Award-2016 and joined the rank of the most influential Russian scientists who greatly contributed to the Russian science development in 2016.

 

30 November 2016  Conference of the Russian Science Foundation grantholders. Eugeny Alexandrov came back from the scientific conference of the Russian Science Foundation grantholders “Fundamental chemical researches in the 21st century” that has been conducted at N.D. Zelinsky Institute of Organic Chemistry of the Russian Academy of Sciences (Moscow) on November 20-24, 2016.

 

24 November 2016  Dr. Tilmann Leisegang visited SCTMS. Dr. Tilmann Leisegang has been visited Samara Center for Theoretical Materials Science on November 19-23, 2016. During his short-term visit, he extended employment contract with Samara University till November 2017 and continued discussion of results of the joint research of sodium solid electrolytes.

 

28 October 2016  Dr. Tilmann Leisegang gave a lecture on Na-S batteries and energy storage issues. On October 21, 2016, Dr. Tilmann Leisegang gave the lecture «Identification and assessment of Na+ solid electrolytes» at Samara Center for Theoretical Materials Science.

 

24 October 2016  Grigory Ilyushin has arrived to SCTMS. On October 18, 2016 Dr. Grigoriy Ilyushin, a leading research worker of the Federal Scientific Research Center “Crystallography and Photonics” of the Russian Academy of Sciences, arrived to Samara Center for Theoretical Materials Science to conduct joint research work.

 

20 October 2016  Anniversary Issue of Structural Chemistry edited by Prof. Vladislav Blatov. The edition of Structural Chemistry Journal (IF 1.854, Springer Publishing) dedicated to the anniversary of Director of Silicate Chemistry Institute of the Russian Academy of Sciences, a member of RAS Prof. Vladimir Shevchenko was issued. SCTMS researchers have been fruitfully cooperating with Prof. Vladimir Shevchenko for ten years.

 

19 October 2016  Dr. Tilmann Leisegang arrived to SCTMS on a working visit. Dr. Tilmann Leisegang (TU Bergakademie Freiberg, Germany) arrived to Samara Center for Theoretical Materials Science on a 10-day visit.

 

17 October 2016  Dr. Giuseppe Fadda gave a lecture on computations of electronic structure of solids. On October 12, 2016, Dr. Giuseppe Fadda gave the lecture «Computations of electronic properties of solids using DFT» at Samara Center for Theoretical Materials Science.

 

1 October 2016  Dr. Giuseppe Fadda arrived to SCTMS on a working visit. Dr. Giuseppe Fadda (the University of Padova, Italy) arrived to SCTMS on a working visit. He will stay in Samara for two weeks.

 

30 September 2016  Conference on energy conversion in lithium electrochemical systems and satellite school in Suzdal. Prof. Vladislav Blatov, Artem Kabanov and Roman Eremin took part in the XIV International conference "Topical problems of energy conversion in lithium electrochemical systems” on September 11 – 15, 2016 in Suzdal, Russia. Artem and Roman also participated in satellite school on electrochemical energy storage.

 

28 September 2016  “Science of Future”: four oral reports and eight poster presentations. Samara Center for Theoretical Materials Science took part in the 2nd International scientific conference “Science of future” that was held on September 20-23, 2016 in Kazan Federal University (Kazan, Russia).

 

28 September 2016  The International scientific school on VASP and International Conference on Advanced Materials Modelling (ICAMM). Roman Eremin and Artem Kabanov participated in the International scientific school on the Vienna Ab-initio Simulation Package (VASP) and the International Conference on Advanced Materials Modelling (ICAMM). Both scientific events took place from August 31 to September 7, 2016 in Rennes (France).

 

26 September 2016  SCTMS delegation came back from the ECM-30. Six researchers of Samara Center for Theoretical Materials Science took part in the 30th Meeting of the European Crystallographic Association (ECM-2016) that was held from August 28 to September 1, 2016 in Basel, Switzerland.

 

24 September 2016  Pavel Zolotarev came back from the AIC school 2016. Pavel Zolotarev took part in the AIC International Crystallography School 2016: "Polymorphism, stability and phase transitions in crystals: theory, experiments, and applications" that was conducted on September 7-11, 2016 in Rimini (Italy).

 

23 September 2016  Two researchers of SCTMS took part in the European Conference on Python in Science. Andrey Golov and Pavel Zolotarev participated in the European Conference on Python in Science that took place on 23-27 of August in Erlangen (Germany).

 

19 September 2016  Nadezhda Nekrasova took part in the ISC 2016. Nadezhda Nekrasova, SCTMS researcher, came back from the 31st International Symposium on Chromatography (ISC2016). The Symposium took place from August 28 until September 1, 2016 at the University College Cork (Cork, Ireland).

 

25 August 2016  SACADA – the world’s first database of 3-periodic carbon allotropes. In July 2016, Samara Center for Theoretical Materials Science researchers jointly with the Nobel laureate in Chemistry Prof. Roald Hoffmann (Cornell University, USA) published a scientific article in one of the most prestigious peer-reviewed chemistry journals – “Angewandte Chemie” (impact factor 11.7). In the article, the scientists presented the world’s first database of 3-periodic carbon allotropes - SACADA (Samara Carbon Allotrope Database).

 

22 August 2016  German colleagues have delivered a course of lectures. The researchers of the Institute of Experimental Physics of Freiberg University of Mining and Technology (TUBAF, Germany) Dr. Tilmann Leisegang and Falk Meutzner have delivered a course of lectures “An introduction to crystallography: Through the diverse world of crystalline matter towards solid electrolytes”.

 

16 August 2016  German researchers have come to SCTMS. Within cooperation with Freiberg University of Mining and Technology (TUBAF, Germany) the researchers of the Institute of Experimental Physics of TUBAF Dr. Tilmann Leisegang and Falk Meutzner have come to Samara Center for Theoretical Materials Science.

 

18 July 2016  The International Scientific School “Combined Topological and DFT Methods for Prediction of New Materials II”: results. Samara Center for Theoretical Materials Science successfully conducted the International Scientific School “Combined Topological and DFT Methods for Prediction of New Materials II”. During the first ten days of July SCTMS held two scientific and academic events: the International workshop “Applications of topological methods in materials science” (July 1-2) and the International scientific school (July 4-10).

 

4 July 2016  Samara Center for Theoretical Materials Science is holding the International Scientific School “Combined Topological and DFT Methods for Prediction of New Materials II”. The International Scientific School “Combined Topological and DFT Methods for Prediction of New Materials II” has begun its work at Samara Center for Theoretical Materials Science. The school continues the project initiated in 2015.

 

3 July 2016  Prof. Vladislav Blatov concluded contract with the Northwestern Polytechnical University (Xian, Shaanxi, China). Director of Samara Center for Theoretical Materials Science has become a professor of the School of Materials Science and Engineering of the Northwestern Polytechnical University (Xian, Shaanxi, China).

 

1 July 2016  International workshop “Applications of topological methods in materials science” (July 1-2, 2016). Samara Center for Theoretical Materials Science has held the International workshop “Applications of topological methods in materials science”.

 

29 June 2016  Research work of Eugeny Alexandrov in Milan University (Italy). Dr. Eugeny Alexandrov, the researcher of Samara Center for Theoretical Materials Science, came back from the long-term scientific visit to Milan (Italy). During April 1 - May 29, 2016, he has been working at the Laboratory of Prof. Lucia Carlucci at the University of Milan.

 

10 June 2016  SCTMS delegation took part in the national conference in Suzdal. From May 30 to June 3, 2016 the 8th National Crystal Chemical Conference was held in Suzdal. Ten researchers of Samara Center for Theoretical Materials Science took part in the conference.

 

18 May 2016  Prof. Vladislav Blatov received Scopus Award Russia-2016. Director of Samara Center for Theoretical Materials Science Prof. Vladislav Blatov received Scopus Award Russia-2016 “For outstanding contribution to Chemistry”.

 

18 May 2016  Dr. George Kostakis gave a lecture on synthesis and application of polynuclear coordination clusters. On May 11, 2016 Dr. George Kostakis gave the lecture «3d/4f polynuclear coordination clusters in catalysis» at SCTMS conference hall.

 

11 May 2016  Dr. Victor Yushankhai gave a lecture on new materials for solar cells. Dr. Victor Yushankhai (JINR, Dubna, Moscow region) presented the report “Hybrid organic-inorganic perovskites for next generation solar cells” at Samara Center for Theoretical Materials Science.

 

22 April 2016  Dr. Giuseppe Fadda gave a lecture on advanced calculation methods of elastic properties of solids. On April 21, 2016 Dr. Giuseppe Fadda gave the lecture “Ab initio calculations of elastic properties of crystalline solids: theory and practice” at Samara Center for Theoretical Materials Science.

 

8 April 2016  Professional trip of Prof. Vladislav Blatov (March, 6 – April 7, 2016, Italy). From March 6, 2016 to April 7, 2016 Prof. Blatov was on a long-term professional trip to Italy where he visited the University of Milan and the University of Padua. During his trip he managed to outline new dimensions of cooperation with European universities, updated the software being developed by the SCTMS staff, performed experimental theoretical calculations and scheduled new scientific publications.

 

4 April 2016  Grant of Russian Science Foundation. Russian Science Foundation (RSF) has summarized the results of the competition to receive grants for the priority area of the RSF’s activities “Basic scientific research and exploratory scientific research, conducted by research teams”. Samara Center for Theoretical Materials Science has won 5-year grant for the project “Hybrid topological and quantum-chemical prediction methods of adsorption, catalytic and sensory properties of microporous framework and low-dimensional materials”.

 

17 March 2016  State registration of Topological Types Collections Online. The online version of Topological Types Collections has been registered by Federal Service for Intellectual Property (Rospatent). The database contains information about the topology of atomic nets in structures of chemical compounds, as well as the topology of the model nets. The database also stores correlations discovered between topological types and reference codes of crystalline structures in which there are certain topological types. Tags: Rospatent

 

1 March 2016  Giuseppe Fadda gave a lecture on evolutionary algorithms for the prediction of crystalline structures. On February 26, 2016 Dr. Giuseppe Fadda gave the lecture “Evolutionary algorithms for the prediction of crystalline structures: an overview” at SCTMS conference hall.

 

12 February 2016  Dr. Tilmann Leisegang gave a lecture on future of energy. On February 10, 2016 Dr. Tilmann Leisegang gave a lecture “Electrochemical energy storage in the context of the energy transition – contributions of crystallography to resource-efficient new all-solid-state batteries” at Samara Center for Theoretical Materials Science.

 

6 February 2016  State registration of Topological Types of Crystal Structures (TTСS). Recently, the Topological Types of Crystal Structures (TTСS) collection has been registered. The collection contains complete information on the underlying nets, as well as samples of crystal structures from which the nets are derived. The collection is ToposPro readable. Tags: Rospatent

 

20 January 2016  Artem Kabanov won a grant of the Russian Foundation for Basic Research. Research fellow of Samara Center for Theoretical Materials Science Artem Kabanov (Ph.D. in Physics and Mathematics) won support of the Russian Foundation for Basic Research within the program “My first grant”. His application №16-32-00296 is in approved grants list. The project title is “Complex physical and chemical modeling of mechanical properties and processes of interstellar dust grain coagulation of various chemical compositions in protoplanetary clouds”.

 

19 January 2016  Mega-grant extension. The Russian Government Council on Grants has extended funding of Samara Center for Theoretical Materials Science from federal budget resources. SCTMS has already received an official notice on the Mega-grant extension from the Department of Science and Technology of the Ministry of Education and Science of Russia. Currently, a respective addendum to the grant agreement is being prepared.

 

30 December 2015  Eugeny Alexandrov won a grant of the Russian Foundation for Basic Research. The application № 16-37-00147 prepared by a research fellow of Samara Center for Theoretical Materials Science Eugeny Alexandrov has been supported by the Russian Foundation for Basic Research. The grant project title is “Knowledge database on structure and physical properties of crystal coordination polymers”.

 

30 December 2015  Research paper of Samara and Novosibirsk scientists has been published in Chemical Reviews. The research paper “Topological motifs in cyanometallates: from building units to three-periodic frameworks” was published in Chemical Reviews in October, 2015. The authors of the paper are Eugeny V. Alexandrov (Samara State Aerospace University, Samara), Alexander V. Virovets (A.V. Nikolaev Institute of Inorganic Chemistry, Novosibirsk), Vladislav A. Blatov (Samara State Aerospace University, Samara), and Eugenia V. Peresypkina (A.V. Nikolaev Institute of Inorganic Chemistry, Novosibirsk).

 

18 December 2015  Dr. George Kostakis gave a lecture on modern coordination chemistry. Dr. George Kostakis (the University of Sussex, the UK) gave a lecture “Modern perspectives in 3d/4f coordination chemistry” at Samara Center for Theoretical Materials Science on December 15, 2015.

 

15 October 2015  Giuseppe Fadda gave a lecture on symmetry in materials science. On October 14, 2015 Samara Center for Theoretical Materials Science held scientific seminar. At the seminar Giuseppe Fadda from the University of Padova (Italy) gave a lecture “Symmetry in materials science: informal discussion”.

 

5 October 2015  International scientific school “Combined Topological and DFT Methods for Prediction of New Materials”. From 15th to 20th of September, 2015 the International scientific school “Combined Topological and DFT Methods for Prediction of New Materials” was held at Samara State University. Samara Center for Theoretical Materials Science (SCTMS), Samara State University and the International Union of Crystallography organized the school.

 

8 September 2015  SCTMS research fellow is “Intellect-2015” prize winner. Andrey Goltsev, a laboratory assistant of Samara Center for Theoretical Materials Science, took part in a prestigious contest in the field of professional education development of Samara region “2015 Student Award” and won a prize “Intellect-2015”.

 

19 June 2015  Samara Center for Theoretical Materials Science is among the organizers of the IUPAC project meeting and workshop. From the 21st to 23rd of May, 2015 with participation of Samara Center for Theoretical Materials Science the IUPAC (International Union of Pure and Applied Chemistry) project meeting and workshop was held in Samara.

 

23 August 2014  The 14th Session of the V.A. Fock meeting on quantum and Computational Chemistry. On August 18-22, 2014 the 14th Session of the V.A. Fock Meeting on Quantum and Computational Chemistry “Bridging the Gap between Solid State Quantum Chemistry and Structural Chemistry of Allotropes” was held in Samara. This session was organized by Samara Center for Theoretical Materials Science (SCTMS) and Samara State University (SSU).

 

17 August 2014  International scientific school “Topological methods for expert systems in materials science”. The International scientific school «Topological methods for expert systems in materials science» was conducted by Samara Center for Theoretical Materials Science from 12th to 16th of August, 2014. The school attracted young and experienced researchers from Russian, Brazil, India, China, Poland and Saudi Arabia. The participants represented Indian Institute of Technology (Kanpur, Indore, Dehli), Indian Institute of Technology Guwahati Assam, Northwestern Polytechnical University (China), King Abdulaziz University Jeddah (Saudi Arabia), University of Sao Paulo (Brazil), Wroclaw University of Technology (Poland), Moscow Institute of Physics and Technology and others.

 

8 February 2014  The first All-Russian scientific school “Topological methods in crystal chemistry and materials science”. From 3rd to 7th of February, 2014 All-Russian scientific school “Topological methods in crystal chemistry and materials science” was held in Samara. The school became the first school on materials science which was conducted in Russia. The scientific school was organized by Samara Center for Theoretical Materials Science and hosted by Samara State University.