Dr. Alexander Shevchenko, senior researcher at SCTMS, won the RSF competition "Conducting fundamental and exploratory research by small separate scientific groups." The study will be implemented for two years with funding of 1.5 million rubles per year.
Application number and title: 23-23-00387 "Design of monoligand complexes using methods of machine analysis of crystal data". The goal of the project is computer prediction of the crystal structure of coordination compounds and metal-organic frameworks (MOFs). Among the planned results are the development of an intelligent system that allows predicting the structure and porosity of crystals of coordination compounds, the creation of a database of qualitatively deciphered crystal structures of monoligand coordination compounds (MCCs), a database of structural building units (SBUs),, a list of geometric-topological and electronic descriptors characterizing MCS and SBU, etc.
The scientific group, which has already begun working under the guidance of Dr. Alexander Shevchenko, includes: Dr. Eugeny Alexandrov, Mikhail Smolkov and Valerija Pavlova.