The conference consisted of several micro-symposia, the scientific program of which was focused on the possibilities of crystal chemistry in different fields: functional or composite materials, materials for energy, minerals, catalysis, machine learning and material prediction, and structural theory. In total, 281 representatives of scientific schools and communities from Russia and abroad took part in the conference, 236 people participated in person. There were 59 oral and 168 poster presentations.
Prof. Vladislav Blatov delivered a plenary lecture "Topological model of reconstructive phase transitions in crystals" on the first day of the conference. In his speech, Prof. V. Blatov spoke about a universal model for describing the configuration space of a crystal, implemented in the ToposPro software package, making it possible to effectively predict new phases that are topologically related to already known phases.
Dr. Alexander Shevchenko made an oral presentation "Determination of the oxidation state of metal atoms in the crystal structures of coordination compounds".
Dr. Eugeny Alexandrov, Dr. Artem Kabanov and Yelizaveta Morkhova presented poster presentations, which aroused considerable interest of the conference participants. Dr. Eugeny Alexandrov presented the poster "Structure-electrical conductivity correlations and design of porous metal-organic coordination polymers". Dr. Artem Kabanov in his poster "Prospective materials for Zn-ion batteries: analysis of the ICSD database" reflected the results of joint work with Yelizaveta Morkhova and Prof. V. Blatov, as well as Dr. T. Leisegang (Freiberg Mining Academy) and Prof. S. Adams (National University of Singapore). The report of Elizaveta Morkhova "Theoretical search for multivalent chalcogen-containing ionic conductors", reflecting the results of joint work with Dr. T. Leisegang, Dr. A. Kabanov and Prof. V. Blatov, was recognized as the best by the decision of the competition committee and awarded with a diploma.
Also in the collection of abstracts of the X National Crystallochemical Conference were published the works of Dr. Olga Blatova "Modeling the self-assembly of zeolites “from top to bottom” and “from the bottom to top” by the tiling method" (co-authors – Dr. A. Golov, Prof. V. Blatov), Dr. Natalia Kabanova "Topological classification atomic networks of minerals ", of M. Smol'kov and Dr. A. Shevchenko “Methodology for predicting the properties of chemical compounds using machine learning ", of Dr. A. Shevchenko, I. Karpukhin, A. Shabalin, Dr. E. Alexandrov and Prof. V. Blatov "Web-service topcryst for topological analysis of crystal structures".
Photos by Artem Kabanov