Sutirthachowdhury/Marcus_theory

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Created over 3 years ago
Updated over 3 years ago

Sutirthachowdhury/Marcus_theory

Sutirthachowdhury

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DBA_cavity_polariton_Chemistry

Cavity induced electron transport for Biological macromolecules

1D_Matsubara_with_1d-spinboson

Using Nonadiabatic Matsubara (Path-Integral formalism) to predict the charge transfer quantum dynamics.

Adiabatic_RPMD_method

This is a path-integral based quantum dynamics method, known as Ring Polymer Molecular Dynamics (RPMD). This method can captures quantum effects and successfully describe the ground state Chemical reactivity. [Ian R. Craig and David E. Manolopoulos, JCP, 121, 3368 (2004)]

Fermi-s_golden_rule_cavity-ET

FGR (Jortner) theory for a cavity-assisted charge transfer process in a hybrid light-matter system.

adiabatic_Matsubara_dynamics_with_Monte_carlo

https://aip.scitation.org/doi/pdf/10.1063/1.4916311

Nonadia_Matsubara_Dynamics

https://aip.scitation.org/doi/abs/10.1063/5.0042136?journalCode=jcp

NRPMD