454 citations · 3.6k across the 53 of their papers we have counts for
53 papers
How to correct Ehrenfest nonadiabatic dynamics in open quantum systems: Ehrenfest plus random force (E) dynamics
Jingqi Chen, Joonho Lee, Wenjie Dou
One key challenge in the study of nonadiabatic dynamics in open quantum systems is to balance computational efficiency and accuracy. Although Ehrenfest dynamics (ED) is computation…
Condensed-Phase Quantum Chemistry
Paul J. Robinson, Adam Rettig, Hieu Q. Dinh +2
Molecular quantum chemistry has seen enormous progress in the last few decades thanks to the more advanced and sophisticated numerical techniques and computing power. Following the…
Unified Framework for Open Quantum Dynamics with Memory
Felix Ivander, Lachlan P. Lindoy, Joonho Lee
Studies of the dynamics of a quantum system coupled to baths are typically performed by utilizing the Nakajima-Zwanzig memory kernel () or the influence functions ($…
Stochastic resolution of identity to CC2 for large systems: excited state properties
Chongxiao Zhao, Qi Ou, Joonho Lee +1
We apply a stochastic resolution of identity approximation (sRI) to the CC2 method for excitation energy calculations. A set of stochastic orbitals are employed to decouple the cru…
Response properties in phaseless auxiliary field quantum Monte Carlo
Ankit Mahajan, Jo S. Kurian, Joonho Lee +2
We present a method for calculating first-order response properties in phaseless auxiliary field quantum Monte Carlo (AFQMC) through the application of automatic differentiation (A…
Competing Generalized Wigner Crystal States in Moiré Heterostructures
Shu Fay Ung, Joonho Lee, David R. Reichman
We present a comprehensive study of generalized Wigner crystals across various filling factors for system sizes up to 162 holes employing Hartree-Fock theory and explicitly correla…