Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms

Author:

Guo Zhuoqiang1,Lu Denghui2,Yan Yujin1,Hu Siyu1,Liu Rongrong1,Tan Guangming1,Sun Ninghui1,Jiang Wanrun3,Liu Lijun4,Chen Yixiao5,Zhang Linfeng6,Chen Mohan2,Wang Han7,Jia Weile1

Affiliation:

1. Chinese Academy of Sciences, Beijing, China and University of Chinese Academy of Sciences, Beijing, China

2. Peking University, Beijing, China

3. AI for Science Institute, Beijing, China

4. Osaka University, Osaka, Japan

5. Princeton University

6. AI for Science Institute, Beijing, China and DP Technology, Beijing, China

7. Institute of Applied Physics and Computational Mathematics, Beijing, China

Funder

CAS Project for Young Scientists in Basic Research

HPCI System Research project

Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program

National Science Foundation of China

Network Information Project of Chinese Academy of Sciences

Director?s Funding of Key State Laboratory of Computer Architecture

Huawei Technologies Co., Ltd.

Publisher

ACM

Reference40 articles.

1. Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

2. Jörg Behler and Michele Parrinello . 2007. Generalized neural-network representation of high-dimensional potential-energy surfaces. Physical review letters 98, 14 ( 2007 ), 146401. Jörg Behler and Michele Parrinello. 2007. Generalized neural-network representation of high-dimensional potential-energy surfaces. Physical review letters 98, 14 (2007), 146401.

3. Zhengda Bian Shenggui Li Wei Wang and Yang You. 2021. Online Evolutionary Batch Size Orchestration for Scheduling Deep Learning Workloads in GPU Clusters. arXiv:2108.03645 [cs.DC] Zhengda Bian Shenggui Li Wei Wang and Yang You. 2021. Online Evolutionary Batch Size Orchestration for Scheduling Deep Learning Workloads in GPU Clusters. arXiv:2108.03645 [cs.DC]

4. Luigi Bonati and Michele Parrinello . 2018. Silicon liquid structure and crystal nucleation from ab initio deep metadynamics. Physical review letters 121, 26 ( 2018 ), 265701. Luigi Bonati and Michele Parrinello. 2018. Silicon liquid structure and crystal nucleation from ab initio deep metadynamics. Physical review letters 121, 26 (2018), 265701.

5. AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics

Cited by 11 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3