90 citations · 382 across the 13 of their papers we have counts for
Showing 2021Show all
3 papers · 1 filter
quant-ph2021★ 66 cited
Toward Practical Quantum Embedding Simulation of Realistic Chemical Systems on Near-term Quantum Computers
Weitang Li, Zigeng Huang, Changsu Cao +6
Quantum computing has recently exhibited great potentials in predicting chemical properties for various applications in drug discovery, material design, and catalyst optimization.…
quant-ph2021★ 36 cited
Non-Markovian Stochastic Schrödinger Equation: Matrix Product State Approach to the Hierarchy of Pure States
Xing Gao, Jiajun Ren, Alexander Eisfeld +1
We derive a stochastic hierarchy of matrix product states (HOMPS) for non-Markovian dynamics in open quantum system at finite temperature, which is numerically exact and efficient.…
cond-mat.mtrl-sci2021★ 77 cited
Quantum-Electrodynamical Time-Dependent Density Functional Theory. I. A Gaussian Atomic Basis Implementation
Junjie Yang, Qi Ou, Zheng Pei +4
Inspired by the formulation of quantum-electrodynamical time-dependent density functional theory (QED-TDDFT) by Rubio and coworkers, we propose an implementation that uses dimensio…