Descriptors representing two- and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Descriptors representing two- and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials

Published:2020-06-21 Issue:23 Volume:152 Page:234102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Jinnouchi Ryosuke¹^ORCID,Karsai Ferenc²^ORCID,Verdi Carla¹^ORCID,Asahi Ryoji³^ORCID,Kresse Georg¹^ORCID

Affiliation:

1. Computational Materials Physics, Faculty of Physics, University of Vienna, Sensengasse 8/16, 1090 Vienna, Austria

2. VASP Software GmbH, Sensengasse 8, 1090 Vienna, Austria

3. Toyota Central Research and Developments Laboratories, Inc., Aichi 480-1192, Japan

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/5.0009491

Reference48 articles.

1. Generalized Neural-Network Representation of High-Dimensional Potential-Energy Surfaces

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

3. Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations

4. Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

5. Molecular Dynamics with On-the-Fly Machine Learning of Quantum-Mechanical Forces

Cited by 97 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

1. Machine learning force field based phonon dispersion prediction;Current Applied Physics;2024-10

2. New tetragonal phases of titanium under shock loading - Predicted by molecular dynamics and ab initio calculations;Scripta Materialia;2024-10

3. Density functional theory and molecular dynamics simulations for resistive switching research;Materials Science and Engineering: R: Reports;2024-09

4. Derivative learning of tensorial quantities—Predicting finite temperature infrared spectra from first principles;The Journal of Chemical Physics;2024-08-22

5. Thermal expansion and phase stability of BF3 ( B=Sc , Y, La, Al, Ga, In) from first principles;Physical Review B;2024-08-22

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