Published: 7 October 2019

I. A. Blatov, E. V. Kitaeva, A. P. Shevchenko and V. A. Blatov A universal algorithm for finding the shortest distance between systems of points. Acta Crystallographica Section A, 2019, 75 (6). doi:10.1107/S2053273319011628 IF 4.647 Read more... 

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Published: 23 September 2019

20191015-01Eugeny V. Alexandrov, Andrey V. Goltsev, Roman A. Eremin, Vladislav A. Blatov Anisotropy of Elastic Properties of Metal–Organic Frameworks and the Breathing Phenomenon. The Journal of Physical Chemistry C, 2019, 123, 40, 24651-24658. doi: 10.1021/acs.jpcc.9b08434 IF 4.484 Read more... 

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Published: 23 September 2019

20191001-03E. A. Morkhova, A. A. Kabanov, V. A. Blatov Modeling of Ionic Conductivity in Inorganic Compounds with Multivalent Cations. Russian Journal of Electrochemistry, 2019, 55 (8), 762–777. doi: 10.1134/S102319351908010X IF 1.043 Read more... 

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Published: 9 September 2019

20191007-03Shalisa M. Oburn, Michael A. Sinnwell, Devin P. Ericson, Eric W. Reinheimer, Davide M. Proserpio, Ryan H. Groeneman and Leonard MacGillivray Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds. IUCrJ, 2019, 6. doi: 10.1107/S2052252519011382 IF 5.434 Read more... 

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Published: 3 September 2019

20190925-01Patrick Avery, Xiaoyu Wang, Corey Oses, Eric Gossett, Davide M. Proserpio, Cormac Toher, Stefano Curtarolo and Eva Zurek Predicting superhard materials via a machine learning informed evolutionary structure search. Computational Materials (Nature Partner Journals), 2019, 89. doi: 10.1038/s41524-019-0226-8 IF 9.651 Read more... 

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Published: 4 August 2019

20191007-01Lilia Xie, Eugeny V. Alexandrov, Grigorii Skorupskii, Davide M Proserpio and Mircea Dinca Diverse π–π stacking motifs modulate electrical conductivity in tetrathiafulvalene-based metal–organic frameworks. Chemical Science, 2019, 10 (37), 8558-8565. doi:10.1039/C9SC03348C IF 9.556 Read more... 

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Publications


5 September 2019
Lecture “Features of RASPA software code for modeling the sorption” 

On September 5, 2019, at 1 p.m. (Moscow time) within the public lecture course Albina Gurskaya gave the lecture“Features of RASPA software code for modeling the sorption” in the conference hall of SCTMS (1, Ak. Pavlov St.).




9 August 2019
Report “Operando description and modeling of catalytic systems” 

On August 9,  2019 at 1:30 p.m. (Moscow time) Dr. Evgeny A. Pidko, Head of the Inorganic Systems Engineering group at the Chemical Engineering Department of Delft University of Technology (Netherlands) and Head of the “TheoMAT” group of theoretical chemistry at ITMO University (St. Petersburg), gave the report “Operando description and modeling of catalytic systems” in the conference hall of SCTMS (1, Ak. Pavlov St.).




31 May 2019
Lecture “Properties of metal-organic coordination polymers important for applications” 

On May 31, 2019 at 1 p.m. (Moscow time) within the public lecture course Eugeny Alexandrov gave the lecture “Properties of metal-organic coordination polymers important for applications” in the conference hall of SCTMS (12, Novo-Sadovaya St.).




15 May 2019
Lecture “Machine learning approaches for solving problems in theoretical materials science” 

On May 15, 2019 at 1 p.m. (Moscow time) within the public lecture course Roman Eremin gave the lecture “Machine learning approaches for solving problems in theoretical materials science” in the conference hall of SCTMS (12, Novo-Sadovaya St.).




23 April 2019
Lecture “Basics of statistical analysis methods” 

On April 26, 2019 at 1 p.m. (Moscow time) within the public lecture course Nadezhda Nekrasova gave the lecture “Basics of statistical analysis methods” in the conference hall of SCTMS (12, Novo-Sadovaya St.).




Archive


20191014-01
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).

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20191007-04
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).

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20190926-01
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).

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20190917-03
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.

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20190829-01
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).

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20190812-01
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.

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