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Title: A Performance and Cost Assessment of Machine Learning Interatomic Potentials

Abstract

Abstract not provided.

Authors:
 [1];  [1];  [1];  [1];  [1];  [2];  [3];  [4];  [5];  [5];  [1]
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  1. Univ. of California, San Diego, CA (United States). Dept. of NanoEngineering
  2. Univ. of Goettingen (Germany). Inst. of Physical and Theoretical Chemistry
  3. Univ. of Cambridge (United Kingdom). Dept. of Engineering
  4. Skolkovo Institute of Science and Technology, Moscow (Russian Federation)
  5. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE Office of Science (SC); USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1559244
Alternate Identifier(s):
OSTI ID: 1596079
Report Number(s):
SAND2019-7998J
Journal ID: ISSN 1089-5639; ark:/13030/qt0j64t2hz
Grant/Contract Number:  
AC02-05CH11231; AC04-94AL85000
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
Additional Journal Information:
Journal Volume: 124; Journal Issue: 4; Journal ID: ISSN 1089-5639
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS

Citation Formats

Zuo, Yunxing, Chen, Chi, Li, Xiangguo, Deng, Zhi, Chen, Yiming, Behler, Jörg, Csányi, Gábor, Shapeev, Alexander V, Thompson, Aidan P, Wood, Mitchell A, and Ong, Shyue Ping. A Performance and Cost Assessment of Machine Learning Interatomic Potentials. United States: N. p., 2020. Web. doi:10.1021/acs.jpca.9b08723.
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Zuo, Yunxing, Chen, Chi, Li, Xiangguo, Deng, Zhi, Chen, Yiming, Behler, Jörg, Csányi, Gábor, Shapeev, Alexander V, Thompson, Aidan P, Wood, Mitchell A, & Ong, Shyue Ping. A Performance and Cost Assessment of Machine Learning Interatomic Potentials. United States. https://doi.org/10.1021/acs.jpca.9b08723
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Zuo, Yunxing, Chen, Chi, Li, Xiangguo, Deng, Zhi, Chen, Yiming, Behler, Jörg, Csányi, Gábor, Shapeev, Alexander V, Thompson, Aidan P, Wood, Mitchell A, and Ong, Shyue Ping. Thu . "A Performance and Cost Assessment of Machine Learning Interatomic Potentials". United States. https://doi.org/10.1021/acs.jpca.9b08723. https://www.osti.gov/servlets/purl/1559244.
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@article{osti_1559244,
title = {A Performance and Cost Assessment of Machine Learning Interatomic Potentials},
author = {Zuo, Yunxing and Chen, Chi and Li, Xiangguo and Deng, Zhi and Chen, Yiming and Behler, Jörg and Csányi, Gábor and Shapeev, Alexander V and Thompson, Aidan P and Wood, Mitchell A and Ong, Shyue Ping},
abstractNote = {Abstract not provided.},
doi = {10.1021/acs.jpca.9b08723},
journal = {Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory},
number = 4,
volume = 124,
place = {United States},
year = {Thu Jan 09 00:00:00 EST 2020},
month = {Thu Jan 09 00:00:00 EST 2020}
}
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Publisher's Version of Record
https://doi.org/10.1021/acs.jpca.9b08723
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