Publications by authors named "Xinzijian Liu"

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DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials.
Jinzhe Zeng, Duo Zhang, Anyang Peng, Xiangyu Zhang, Sensen He, Xinzijian Liu, Yun-Pei Liu, Zhaoqing Liu

J Chem Theory Comput· May 2025

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DPA-2: a large atomic model as a multi-task learner.
Duo Zhang, Xinzijian Liu, Xiangyu Zhang, Chengqian Zhang, Chun Cai, Siyuan Liu, Jianchuan Liu, Shi Liu

NPJ Comput Mater· December 2024

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Machine learning phase space quantum dynamics approaches.
Xinzijian Liu, Linfeng Zhang, Jian Liu

J Chem Phys· May 2021

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Unified Efficient Thermostat Scheme for the Canonical Ensemble with Holonomic or Isokinetic Constraints via Molecular Dynamics.
Zhijun Zhang, Xinzijian Liu, Kangyu Yan, Mark E Tuckerman, Jian Liu

J Phys Chem A· July 2019

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Path integral molecular dynamics for exact quantum statistics of multi-electronic-state systems.
Xinzijian Liu, Jian Liu

J Chem Phys· March 2018

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A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamics.
Zhijun Zhang, Xinzijian Liu, Zifei Chen, Haifeng Zheng, Kangyu Yan, Jian Liu

J Chem Phys· July 2017

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A simple and accurate algorithm for path integral molecular dynamics with the Langevin thermostat.
Jian Liu, Dezhang Li, Xinzijian Liu

J Chem Phys· July 2016

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