Sutirthachowdhury
Postdoctoral Associate at Duke University | Theoretical and computational chemist.
Duke universityDurham, NC, USA
Pinned Repositories
1D_Matsubara_with_1d-spinboson
Using Nonadiabatic Matsubara (Path-Integral formalism) to predict the charge transfer quantum dynamics.
adiabatic_Matsubara_dynamics_with_Monte_carlo
https://aip.scitation.org/doi/pdf/10.1063/1.4916311
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)]
DBA_cavity_polariton_Chemistry
Cavity induced electron transport for Biological macromolecules
Fermi-s_golden_rule_cavity-ET
FGR (Jortner) theory for a cavity-assisted charge transfer process in a hybrid light-matter system.
Marcus_theory
Nonadia_Matsubara_Dynamics
https://aip.scitation.org/doi/abs/10.1063/5.0042136?journalCode=jcp
NRPMD
PMET_ehrenfest_fock
Using Fock states (Harmonic Oscillator eigenstates ) to quantize the cavity photon mode and using the Ehrenfest dynamics to accurately describe the population dynamics for coupled light-matter system
SemiClassical-NAMD
Semiclassical code for quantum dynamics
Sutirthachowdhury's Repositories
Sutirthachowdhury/DBA_cavity_polariton_Chemistry
Cavity induced electron transport for Biological macromolecules
Sutirthachowdhury/1D_Matsubara_with_1d-spinboson
Using Nonadiabatic Matsubara (Path-Integral formalism) to predict the charge transfer quantum dynamics.
Sutirthachowdhury/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)]
Sutirthachowdhury/SemiClassical-NAMD
Semiclassical code for quantum dynamics
Sutirthachowdhury/adiabatic_Matsubara_dynamics_with_Monte_carlo
https://aip.scitation.org/doi/pdf/10.1063/1.4916311
Sutirthachowdhury/Fermi-s_golden_rule_cavity-ET
FGR (Jortner) theory for a cavity-assisted charge transfer process in a hybrid light-matter system.
Sutirthachowdhury/Marcus_theory
Sutirthachowdhury/Nonadia_Matsubara_Dynamics
https://aip.scitation.org/doi/abs/10.1063/5.0042136?journalCode=jcp
Sutirthachowdhury/NRPMD
Sutirthachowdhury/PMET_ehrenfest_fock
Using Fock states (Harmonic Oscillator eigenstates ) to quantize the cavity photon mode and using the Ehrenfest dynamics to accurately describe the population dynamics for coupled light-matter system
Sutirthachowdhury/rochester-dissertation-template
LaTeX template for PhD dissertations at the University of Rochester
Sutirthachowdhury/Sutirthachowdhury
Config files for my GitHub profile.
Sutirthachowdhury/test
This is a little description