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


The international school & conference on current challenges in chemical physics and theoretical chemistry CHALLENGES 2024 will take place on July 1-5, 2024 at the shore of lake Klyazma (Povedniki, Moscow region). The conference aims at bringing together quantum chemists and physicists across various multidisciplinary fields of science. The conference themes span 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 on innovation technologies for high-performance computing will be delivered by industrial representatives. To complement a more traditional program, which will include plenary and invited talks as well as poster sessions, round-table discussions on hot topics will be organized. This event will be an excellent opportunity to engage in new collaborations with scientific groups across Russia and abroad, as well as with industrial partners. The summer school on modern electronic structure theory methods and high-performance computing will be held within the conference. Looking forward to welcoming you to Klyazma this summer!