Laboratory of Quantum Chemistry and Molecular Modeling
Authorization required.
Multiscale modeling of the structure and properties of photoactive compounds
- DFT calculations
- Theory of Quantum Mechanics/Molecular Mechanics (KM/MM)
- Molecular dynamics and quantum chemical calculations
Elena Rykova
Head of Laboratory
Nikita Dubinets
Researcher
Research directions
Molecular dynamic modeling
+
Molecular dynamic modeling of photoactive layers, obtaining time trajectories
Quantum chemical calculations of photoactive compounds
+
Quantum chemical calculations of the structure of spectral properties of photoactive molecules and complexes
Publications and patents
2019
—
2021
| Багатурьянц Александр Александрович
2014
—
2016
| Багатурьянц Александр Александрович
Lab address
Москва, ул. Новаторов, 7А, корп. 1
Authorization required.