3 papers
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)…
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-ph2025
On the role of nuclear quantum effects on the stability of peptides
Jing Shen, Ming-Zheng Du, Dong H. Zhang +2
Nuclear quantum effects (NQEs) arising from the light mass of hydrogen can influence the structure and stability of hydrogen-bonded biomolecules, yet their role in determining pept…