G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences (ISC RAS) and the Laboratory of Computational Physics of the National Research University Higher School of Economics (NRU HSE) have won a prestigious “Mirror Laboratories” competition organized by the National Research University Higher School of Economics. They teamed up to launch a three-year project “Predicting the Properties of Molecular Systems: Combining Machine Learning Methods and Classical Modeling Methods.”
For three years (with potential extension), two “mirror” laboratories will work at the Institute of Solution Chemistry and the National Research University Higher School of Economics to develop methods and approaches for predicting the properties of novel chemical compounds and materials on their basis by using a combination of machine learning methods, including neural networks, and classical methods of computer modeling of molecular systems (classical molecular dynamics, quantum chemistry and methods of statistical physics). This will certainly promote scientific cooperation between ISC RAS and Higher School of Economics. The project leaders are: Professor of the National Research University Higher School of Economics, Doctor of Physical and Mathematical Sciences Yuri Alekseevich Budkov and, Senior Researcher, Candidate of Chemical Sciences Dmitry Mikhailovich Makarov.
The Mirror Laboratories program is aimed at developing scientific partnerships inside Russia and ensuring concentration of efforts of two high-quality scientific teams. Participation in this program allows scientists to implement research projects in various fields of science with partners from different regions of Russia. Eighteen scientific departments of the National Research University Higher School of Economics and their partners from 17 regions of the country took part in the fifth anniversary competition. As a result of the competition, 9 research projects were supported.
https://www.hse.ru/news/science/928525824.html
