Robust crystal structure identification at extreme conditions using a density-independent spectral descriptor and supervised learning

Author:

Lafourcade PaulORCID,Maillet Jean-BernardORCID,Denoual Christophe,Duval Eléonore,Allera ArnaudORCID,Goryaeva Alexandra M.,Marinica Mihai-Cosmin

Publisher

Elsevier BV

Subject

Computational Mathematics,General Physics and Astronomy,Mechanics of Materials,General Materials Science,General Chemistry,General Computer Science

Reference61 articles.

1. Kien Nguyen-Cong, Jonathan.T. Willman, Stan.G. Moore, Anatoly.B. Belonoshko, Rahulkumar Gayatri, Evan Weinberg, Mitchell.A. Wood, Aidan.P. Thompson, Ivan.I. Oleynik, Billion atom molecular dynamics simulations of carbon at extreme conditions and experimental time and length scales, in: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, 2021, pp. 1–12.

2. Zhuoqiang Guo, Denghui Lu, Yujin Yan, Siyu Hu, Rongrong Liu, Guangming Tan, Ninghui Sun, Wanrun Jiang, Lijun Liu, Yixiao Chen, et al., Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms, in: Proceedings of the 27th ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, 2022, pp. 205–218.

3. Micron-scale heterogeneous catalysis with Bayesian force fields from first principles and active learning;Johansson,2017

4. Probing the limits of metal plasticity with molecular dynamics simulations;Zepeda-Ruiz;Nature,2017

5. Dislocation nucleation and defect structure during surface indentation;Kelchner;Phys. Rev. B,1998

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