Published: 15 February 2019

Created with Equilibrium MediaRichWen-Chao Kang, Dong Liu, Vladislav A.Blatov, Guang-HuaCui Unique self-catenated 3D Cd(II)-MOF with a rare (3,3,9)-connected underlying network exhibiting high photocatalytic activities. Inorganic Chemistry Communications, 2019, 102, 126-129. doi: 10.1016/j.inoche.2019.02.017 Read more... 



Published: 20 January 2019

no spine minimum. half size. Editor: Tara  JEM: Esther
RTP: Cathy FisherT. Nestler, F. Meutzner, A.A. Kabanov, M. Zschornak, T. Leisegang, and D.C. Meyer A combined theoretical approach for identifying battery materials: Al3+ mobility in oxides. Chemistry of Materials, 2019, 31 (3), 737–747. doi: 10.1021/acs.chemmater.8b03631 Read more... 



Published: 22 December 2018

Olga A. Blatova, Andrey A. Golov, Vladislav A. Blatov Natural tilings and free space in zeolites: models, statistics, correlations, prediction. Zeitschrift für Kristallographie - Crystalline Materials, 2018. doi:10.1515/zkri-2018-2143 Read more... 



Published: 20 October 2018

20181217-03R.A.Eremin, N.A.Kabanova, Ye.A.Morkhova, A.A.Golov, V.A.Blatov High-throughput search for potential potassium ion conductors: A combination of geometrical-topological and density functional theory approaches. Solid State Ionics, 2018, 326, 188-199. doi: 10.1016/j.ssi.2018.10.009 Read more... 



Published: 17 October 2018

Created with Equilibrium MediaRichPavel V.Bushlanov, Vladislav A.Blatov, Artem R.Oganov Topology-based crystal structure generator. Computer Physics Communications, 2019, 236, 1-7. doi: 10.1016/j.cpc.2018.09.016 Read more... 



Published: 17 October 2018

GC_020_023.inddM. Joharian, A. Azhdari Tehrani, A. Morsali, L. Carlucci, D. M. Proserpio Water-Stable Fluorinated Metal−Organic Frameworks (F-MOFs) with Hydrophobic Properties as Efficient and Highly Active Heterogeneous Catalysts in Aqueous Solution. Green Chemistry, 2018, 20, 5336-5345. doi: 10.1039/C8GC02367K Read more... 



Publications


12 February 2019
Lecture “Predicting crystal growth via a unified kinetic 3-D partition model” 

On February 12, 2019 at 1 p.m. (Moscow time) Prof. Michael W. Anderson (The University of Manchester, UK) gave the lecture “Predicting crystal growth via a unified kinetic 3-D partition model” in the conference hall of SCTMS (12, Novo-Sadovaya St.).




6 February 2019
Report “Atomistic and quantum-chemical modeling of crystal structures and physical properties of mantle phases of variable composition” 

On February 6, 2018 at 1 p.m. Ekaterina I. Marchenko, a PhD student of Department of Crystallography and Crystal Chemistry at the Faculty of Geology of MSU (Moscow), gave the report "Atomistic and quantum-chemical modeling of crystal structures and physical properties of mantle phases of variable composition" in the conference hall of SCTMS (1, Ak. Pavlov St.).




1 February 2019
Lecture “Mechanical properties of solids: density functional theory calculations” 

On February 1, 2019 at 1 p.m. (Moscow time) within the public lecture course Artem Kabanov gave the lecture “Mechanical properties of solids: density functional theory calculations” in the conference hall of SCTMS (12, Novo-Sadovaya St.).




16 January 2019
Lecture “Properties and Applications of Zeolites” 

On January 16, 2019 at 1 p.m. (Moscow time) within the public lecture course Olga Blatova gave the lecture “Properties and Applications of Zeolites” in the conference hall of SCTMS (12, Novo-Sadovaya St.).




21 December 2018
Lecture “Machine Learning, Rule-Based Systems and Artificial Intelligence” 

On December 21, 2018 at 0:30 p.m. (Moscow time) within the public lecture course Aleksandr Shevchenko gave the lecture “Machine Learning, Rule-Based Systems and Artificial Intelligence” in the conference hall of SCTMS (12, Novo-Sadovaya St.).




Archive


20190315-01
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.

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20190304-01
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.

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20190226-01
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.

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20190219-01
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.

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20190212-01
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.

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20190208-01
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.

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