Ksenia Komarova research

In our research we combine high-level ab initio Quantum Chemistry and exact Quantum Dynamics simulations to examine the ultrafast field induced dynamics in small molecules. Being small means being accurate but not necessarily simple! Our main goal is to establish a theoretical framework that will help to orient in the quantum world of the photochemical processes. Using exact numerical simulations together with an algebraic approach we seek for a simple and transparent view on the dynamics which unfolds on several electronic states, out of equilibrium for both electrons and nuclei.

See our Research and Publications pages for more information.

Latest thought: We write for readers from the future not from the past

Featured
#computing by observables, #surprisal analysis, #non-radiative decay, #non-adiabatic dynamics, #nuclear quantum effects
Constraints for the non-radiative decay
#computing by observables, #surprisal analysis, #non-radiative decay, #non-adiabatic dynamics, #nuclear quantum effects
#computing by observables, #surprisal analysis, #non-radiative decay, #non-adiabatic dynamics, #nuclear quantum effects
#density via observables, #coherent states, #non-adiabatic dynamics, #electron-nuclear disequilibrium, #surprisal analysis, #quantum dynamics
PhD thesis submitted : D
#density via observables, #coherent states, #non-adiabatic dynamics, #electron-nuclear disequilibrium, #surprisal analysis, #quantum dynamics
#density via observables, #coherent states, #non-adiabatic dynamics, #electron-nuclear disequilibrium, #surprisal analysis, #quantum dynamics
#quantum dynamics, #quantum computing, #e-book, #vibrational dynamics, #2D-photon-echo spectroscopy, #Algebraic mapping
Scientific papers as e-books!
#quantum dynamics, #quantum computing, #e-book, #vibrational dynamics, #2D-photon-echo spectroscopy, #Algebraic mapping
#quantum dynamics, #quantum computing, #e-book, #vibrational dynamics, #2D-photon-echo spectroscopy, #Algebraic mapping
#density via observables, #non-adiabatic dynamics, #non-radiative decay, #Morse potential, #Anharmonicity
Algebraic view on the density of anharmonic systems
#density via observables, #non-adiabatic dynamics, #non-radiative decay, #Morse potential, #Anharmonicity
#density via observables, #non-adiabatic dynamics, #non-radiative decay, #Morse potential, #Anharmonicity