48 citations · 190 across the 10 of their papers we have counts for
Showing physics.chem-phShow all
2 papers · 1 filter
physics.chem-ph2024
Simulating Electron Transfer in a Molecular Triad within an Optical Cavity Using NISQ Computers
Ningyi Lyu, Pouya Khazaei, Eitan Geva +1
We present a quantum algorithm based on the Tensor-Train Thermo-Field Dynamics (TT-TFD) method to simulate the open quantum system dynamics of intramolecular charge transfer modula…
physics.chem-ph2022★ 42 cited
Tensor-Train Split Operator KSL (TT-SOKSL) Method for Quantum Dynamics Simulations
Ningyi Lyu, Micheline B. Soley, Victor S. Batista
Numerically exact simulations of quantum reaction dynamics, including non-adiabatic effects in excited electronic states, are essential to gain fundamental insights into ultrafast…