The group of quantum chemical calculations
Authorization required.
Development of modern quantum chemical methods for predicting the properties of substances (thermochemistry, spectra) and the energy of chemical reactions in the gas phase and solution from the first principles.
- Quantum Chemistry
Yury Minenkov
Head of Laboratory
Andrey Moshchenkov
PhD student
Egor Nosach
Student
Timofey Rozov
Student
Aleksandr Rizhako
Student
Research directions
Simulation of solvation processes
+
Development of software for calculating the thermodynamics of solvation and generation of conformational ensembles.
Prediction of enthalpy of formation of substances
+
Development of a universal protocol for predicting the heats of formation of substances based on the Feller-Peterson-Dixon approach.
Publications and patents
2022
—
2023
| Миненков Юрий Валерьевич
Lab address
Москва, ул. Косыгина, 4, корп. 1
Authorization required.