Sökresultat - "Xinzijian Liu"

APEX: an automated cloud-native material property explorer

Zhuoyuan Li, Tongqi Wen, Yuzhi Zhang, Xinzijian Liu, Chengqian Zhang, A. S. L. Subrahmanyam Pattamatta, Xiaoguo Gong, Beilin Ye, Han Wang, Linfeng Zhang, David J. Srolovitz

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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, Hangrui Bi, Yiming Du, Xuejian Qin, Anyang Peng, Jiameng Huang, Bowen Li, Yifan Shan, Jinzhe Zeng, Yuzhi Zhang, Siyuan Liu, Yifan Li, Junhan Chang, Xinyan Wang, Shuo Zhou, Jianchuan Liu, Xiaoshan Luo, Zhenyu Wang, Wanrun Jiang, Jing Wu, Yudi Yang, Jiyuan Yang, Manyi Yang, Fu-Qiang Gong, Linshuang Zhang, Mengchao Shi, Fu-Zhi Dai, Darrin M. York, Shi Liu, Tong Zhu, Zhicheng Zhong, Jian Lv, Jun Cheng, Weile Jia, Mohan Chen, Guolin Ke, Weinan E, Linfeng Zhang, Han Wang

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Pretraining of attention-based deep learning potential model for molecular simulation

Duo Zhang, Hangrui Bi, Fu-Zhi Dai, Wanrun Jiang, Xinzijian Liu, Linfeng Zhang, Han Wang

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The OpenLAM Challenges: LAM Crystal Philately competition

Anyang Peng, Xinzijian Liu, Ming-Yu Guo, Linfeng Zhang, Han Wang

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A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamics.

Zhijun Zhang¹, Xinzijian Liu¹, Zifei Chen¹, Haifeng Zheng¹, Kangyu Yan¹, Jian Liu¹ jianliupku@pku.edu.cn

A simple and accurate algorithm for path integral molecular dynamics with the Langevin thermostat.

Jian Liu, Dezhang Li, Xinzijian Liu

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Unified Efficient Thermostat Scheme for the Canonical Ensemble with Holonomic or Isokinetic Constraints via Molecular Dynamics.

Zhijun Zhang¹, Xinzijian Liu¹, Kangyu Yan¹, Tuckerman, Mark E.^2,3,4, Jian Liu¹ jianliupku@pku.edu.cn