20170627-04 
Marc Esser, Arina A. Esser, Davide M. Proserpio, Richard Dronskowski Bonding analyses of unconventional carbon allotropes. Carbon, 2017 (September), 121, 154 – 162. doi:10.1016/j.carbon.2017.05.062 Read more... 

130 minimum on spine. Editor: Mihaela Rogers, JEM: Diane
RTP: Maureen Murdock 
Eugeny V. Alexandrov, Andrey V. Goltsev, Michael O’Keeffe, and Davide M. Proserpio Two Exceptional Patterns of Helical Secondary Building Units Found in Metal–Organic Framework Structures. Crystal Growth & Design, 2017 (7 June), 17 (6), 2941–2944. doi: 10.1021/acs.cgd.7b00430 Read more... 

20170427-03 
Sara Azizzadeh, Valiollah Nobakht , Lucia Carlucci, Davide M. Proserpio Self-assembly of three cationic silver(I) coordination networks with flexible bis(pyrazolyl)-based linkers. Polyhedron, 2017 (7 July), 130, 58 – 66. doi: 10.1016/j.poly.2017.03.048 Read more... 

20170427-01 
Michael W. Anderson, James T. Gebbie-Rayet, Adam R. Hill, Nani Farida, Martin P. Attfield,Pablo Cubillas, Vladislav A. Blatov, Davide M. Proserpio, Duncan Akporiaye, Bjørnar Arstad & Julian D. Gale Predicting crystal growth via a unified kinetic three-dimensional partition model. Nature, 2017 (27 April), 544, 456–459. doi:10.1038/nature21684 Read more... 

20170427-05 
Volker L. Deringer, Gabor Csanyi, and Davide M. Proserpio Extracting Crystal Chemistry from Amorphous Carbon Structures. ChemPhysChem 2017 (19 April), Volume 18, Issue 8, 873 – 877. doi: 10.1002/cphc.201700151 Read more... 

Publications


20 June 2017
“ToposPro & 13th USPEX Workshop”
The International scientific school "ToposPro &13th USPEX Workshop" held from the 16thto 20th of June,2017 in Shanghai, China.

        

22 May 2017
Scientific workshop “Computer topological analysis in crystal chemistry – theory and practice” 

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.


15 March 2017
Scientific conference of SCTMS researchers 

On February 15, 2017, the scientific conference of SCTMS researchers and Prof. Davide M. Proserpio was held. SCTMS researchers presented their projects and studies being implemented within the main nine areas.


30 November 2016
Webinar “Knowledge databases for crystal design: General principles of development” 

On November 30, 2016 at 10 UTC (Moscow time 13:00) SCTMS conducted the webinar "Knowledge databases for crystal design: General principles of development".


31 October 2016
Webinar «Topological databases in crystal structure analysis: Why do we need them?» 

On October 31, 2016 at в 10:00 UTC (13:00 of Moscow time) SCTMS conducted the webinar «Topological databases in crystal structure analysis: Why do we need them?»


21 October 2016
Lecture of Dr. Tilmann Leisegang 

On October 21, 2016 in Samara Center for Theoretical Materials Science Dr. Tilmann Leisegang (the Institute of Experimental Physics, TU Bergakademie Freiberg, Germany) gave a lecture. The lecture topic was “Identification and assessment of Na+ solid electrolytes”.


Archive


20170624-01
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.

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20170621-01
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.

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20170605-01
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.

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20170602-02
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.

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20170529-01
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.

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20170523-03
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).

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