25 August 2020 г. |
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.
25 August 2020 г. |
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.
16 June 2020 г. |
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:
21 February 2020 г. |
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.
19 December 2019 г. |
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 October 2019 г. |
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).
6 August 2019 г. |
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 г. |
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.
15 March 2019 г. |
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.
8 February 2019 г. |
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.
23 November 2018 г. |
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.
13 November 2018 г. |
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 September 2018 г. |
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 г. |
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.
9 June 2018 г. |
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 г. |
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.
17 May 2018 г. |
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.
11 January 2018 г. |
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.
20 October 2017 г. |
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 г. |
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.
27 June 2017 г. |
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 г. |
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 г. |
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 г. |
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 г. |
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 г. |
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).
27 June 2016 г. |
Webinar «Solid electrolytes: Analysis of migration paths and prediction of conductivity with Voronoi partition».
On June 27, 2016 at 10:00 UTC (13:00 Moscow time) the SCTMS team held the webinar "Solid electrolytes: analysis of migration paths and prediction of conductivity with Voronoi partition".
25 May 2016 г. |
Webinar “Intermetallic compounds: modeling with polyshell onion-like nanoclusters”.
On May 25, 2016 at 10:00 UTC (13:00 Moscow time) Samara Center for Theoretical Materials Science conducted the webinar "Intermetallic compounds: modeling with polyshell onion-like nanoclusters".
17 March 2016 г. |
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.