Laboratory of Quantum Photodynamics

Our research goals are directed toward understanding the mechanisms and efficiency of light-triggered processes in nature at the atomic level using state-of-the-art electronic structure theory methods. The focus is on studying primary photoresponse of photoactive proteins and their light-absorbing molecular units, which includes a theoretical account of their photo-initiated non-adiabatic quantum dynamics occurring on multiple electronic states. We develop hybrid QM/MM and MD/QM/MM approaches for multiscale modeling of large molecular systems. We also develop theoretical methods to model band shapes in one-photon and two-photon absorption spectroscopy and 2D photoelectron spectroscopy. Applications include vision, photoconversion of fluorescent proteins, photo-induced electron transfer and electron emission, spectroscopy of matrix-isolated species, astrophysics, bionanophotonics, …. and many more!

International school & conference

«CURRENT CHALLENGES IN CHEMICAL PHYSICS AND THEORETICAL CHEMISTRY»

The international school & conference on current challenges in chemical physics and theoretical chemistry CHALLENGES 2024 is officially over! More than 120 scientists from Russia, China, and the United Kingdom took part in our event.  The conference themes spanned from the development of modern electronic structure theory methods to their application in classical and quantum molecular dynamics simulations, astrophysics, linear and nonlinear molecular spectroscopy. Key lectures on application of machine learning techniques in high-tech production and innovation technologies for high-performance computing were delivered by industrial representatives. The summer school on modern electronic structure theory methods and high-performance computing organized by the MSU school of advanced engineering studies was also held within the conference.
 
The book of abstracts is available at https://www.challenges2024.ru/en
 
The presentations of the talks are available at https://lk.challenges2024.ru/n.php
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