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20222026
most citedGeneral analytical nuclear force and molecular potential energy surface from full configuration interaction quantum Monte Carlo

1 citations · 1 across the 5 of their papers we have counts for

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physics.chem-ph2026

Rigorous Quantum Thermodynamics from Entropic Path Integral Coarse-Graining

Jing Shen, Ziyan Ye, Ming-Zheng Du +5

Nuclear quantum effects (NQEs) remain a major challenge for molecular simulations, as rigorous treatment requires imaginary-time path-integral methods with heavy computational over…

physics.chem-ph2026

Efficient Simulation of Non-Markovian Path Integrals via Imaginary Time Evolution of an Effective Hamiltonian

Xiaoyu Yang, Limin Liu, Wencheng Zhao +2

Accurately simulating the non-Markovian dynamics of open quantum systems remains a significant challenge. While the recently proposed time-evolving matrix product operator (TEMPO)…