Seven delegates of Samara Center for Theoretical Materials Science took part in the IX National Crystal Chemistry Conference, 2018 that was held in Suzdal on June 4-8, 2018. The conference program included five oral reports of SCTMS scientists. Prof. Vladislav Blatov was a member of the program committee and a session moderator.The main initiator and organizer of the conference is the Russian Academy of Sciences. The scope of the conference included issues of organic and inorganic crystal chemistry, structural aspects of reactions in crystals, crystal chemistry of coordination and metal-organic compounds, dynamic crystal chemistry, current features of various types of diffraction, etc.
Prof. Blatov presented the report “Crystal chemistry of zeolites: new models and methods of prediction”. Aleksandr Shevchenko reported on data mining by the example of CnHmOk lidangs in crystal structures of coordination compounds. The presentation of Eugeny Alexandrov concerned topological recognition and design of coordination polymers. Natalia Kabanova made the contribution “Modeling of oxygen-ion conductivity in compounds with perovskite-like structures by means of hybrid topological, quantum-mechanical method”. Tatiana Akhmetshina reported on prediction and synthesis of a new intermetallide in Sc-Pd system.
Olga Blatova participated in the poster session with the poster ”Comparative analysis of a packing topology of protein, polypeptide and small organic molecules”. Elizaveta Timofeeva presented a poster “Modeling of cationic conductivity in inorganic compounds with multivalent cations (Mg2+, Ca2+, Sr2+)”.
SCTMS delegates also participated in the round table “Genome of materials: is there a place for crystal chemistry?” (Moderator: Prof. Vladimir G. Tsirelson., D. Mendeleev University of Chemical Technology of Russia).