66 citations · 142 across the 6 of their papers we have counts for
6 papers
Seeking a quantum advantage with trapped-ion quantum simulations of condensed-phase chemical dynamics
Mingyu Kang, Hanggai Nuomin, Sutirtha N. Chowdhury +8
Simulating the quantum dynamics of molecules in the condensed phase represents a longstanding challenge in chemistry. Trapped-ion quantum systems may serve as a platform for the an…
Non-adiabatic Ring Polymer Molecular Dynamics in the Phase Space of the SU(N) Lie Group
Duncan Bossion, Sutirtha N. Chowdhury, Pengfei Huo
We derive the non-adiabatic ring polymer molecular dynamics (RPMD) approach in the phase space of the SU(N) Lie Group. This method, which we refer to as the spin mapping non-adiaba…
Interference Between Molecular and Photon Field-Mediated Electron Transfer Coupling Pathways in Cavities
Sutirtha N. Chowdhury, Peng Zhang, David N. Beratan
Cavity polaritonics is capturing the imagination of the chemistry community because of the novel opportunities it creates to direct chemistry. Electron transfer (ET) reactions are…
Non-Adiabatic Ring Polymer Molecular Dynamics with Spin Mapping Variables
Duncan Bossion, Sutirtha N. Chowdhury, Pengfei Huo
We present a new non-adiabatic ring polymer molecular dynamics (NRPMD) method based on the spin mapping formalism, which we refer to as the spin-mapping NRPMD (SM-NRPMD) approach.…
State Dependent Ring Polymer Molecular Dynamics for Investigating Excited Nonadiabatic Dynamics
Sutirtha N. Chowdhury, Pengfei Huo
Recently proposed non-adiabatic ring polymer molecular dynamics (NRPMD) approach has shown to provide accurate quantum dynamics by incorporating explicit electronic state descripti…
Coherent State Mapping Ring-Polymer Molecular Dynamics for Non-Adiabatic quantum propagations
Sutirtha Chowdhury, Pengfei Huo
We introduce the coherent state mapping ring-polymer molecular dynamics (CS-RPMD), a new method that accurately describes electronic non-adiabatic dynamics with explicit nuclear qu…