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 (8 May). 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... 

130 minimum on spine. Editor: Mihaela Rogers, JEM: Diane
RTP: Maureen Murdock 
Nadezhda A. Nekrasova, Svetlana V. Kurbatova Quantitative structure–Chromatographic retention correlations of quinoline derivatives. Journal of Chromatography A, 2017 (7 April), Volume 1492, 55–60. doi:10.1016/j.chroma.2017.02.063 Read more... 

Publications


“ToposPro & 13th USPEX Workshop”

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

        



“Computer topological analysis in crystal chemistry - theory and practice”

On May 22, 2017, Prof. Vladislav Blatov will hold 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


20170520-01
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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20170504-01
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.

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20170430-01
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.

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20170425-01
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”.

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20170405-07
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.

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20170405-06
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”.

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