An Efficient Integrator Scheme for Sampling the (Quantum) Isobaric-Isothermal Ensemble in (Path Integral) Molecular Dynamics Simulations

Fuente: arXiv

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Bibliographic Details
Main Authors:	Liang, Weihao, Wang, Sihan, Wang, Cong, Wang, Weizhou, She, Xinchen, Wang, Chongbin, Shao, Jiushu, Liu, Jian
Format:	Preprint
Published:	2025
Subjects:	Statistical Mechanics Biological Physics Chemical Physics Classical Physics Computational Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2504.08342