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Title: Multiobjective genetic training and uncertainty quantification of reactive force fields

Authors:
; ORCiD logo; ; ; ; ; ORCiD logo;
Publication Date:
Research Org.:
Univ. of Southern California, Los Angeles, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1461924
Alternate Identifier(s):
OSTI ID: 1501524
Grant/Contract Number:  
SC00014607; SC0014607
Resource Type:
Published Article
Journal Name:
npj Computational Materials
Additional Journal Information:
Journal Name: npj Computational Materials Journal Volume: 4 Journal Issue: 1; Journal ID: ISSN 2057-3960
Publisher:
Nature Publishing Group
Country of Publication:
United Kingdom
Language:
English
Subject:
97 MATHEMATICS AND COMPUTING; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Mishra, Ankit, Hong, Sungwook, Rajak, Pankaj, Sheng, Chunyang, Nomura, Ken-ichi, Kalia, Rajiv K., Nakano, Aiichiro, and Vashishta, Priya. Multiobjective genetic training and uncertainty quantification of reactive force fields. United Kingdom: N. p., 2018. Web. doi:10.1038/s41524-018-0098-3.
Mishra, Ankit, Hong, Sungwook, Rajak, Pankaj, Sheng, Chunyang, Nomura, Ken-ichi, Kalia, Rajiv K., Nakano, Aiichiro, & Vashishta, Priya. Multiobjective genetic training and uncertainty quantification of reactive force fields. United Kingdom. doi:10.1038/s41524-018-0098-3.
Mishra, Ankit, Hong, Sungwook, Rajak, Pankaj, Sheng, Chunyang, Nomura, Ken-ichi, Kalia, Rajiv K., Nakano, Aiichiro, and Vashishta, Priya. Thu . "Multiobjective genetic training and uncertainty quantification of reactive force fields". United Kingdom. doi:10.1038/s41524-018-0098-3.
@article{osti_1461924,
title = {Multiobjective genetic training and uncertainty quantification of reactive force fields},
author = {Mishra, Ankit and Hong, Sungwook and Rajak, Pankaj and Sheng, Chunyang and Nomura, Ken-ichi and Kalia, Rajiv K. and Nakano, Aiichiro and Vashishta, Priya},
abstractNote = {},
doi = {10.1038/s41524-018-0098-3},
journal = {npj Computational Materials},
number = 1,
volume = 4,
place = {United Kingdom},
year = {2018},
month = {8}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1038/s41524-018-0098-3

Citation Metrics:
Cited by: 2 works
Citation information provided by
Web of Science

Figures / Tables:

Fig. 1 Fig. 1: Snapshots for a initial and b final configurations during QMD simulation to study sulfidation of MoO3 flakes using H2S precursors. White, yellow, cyan, and red spheres represent H, S, Mo, and O atoms, respectively

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    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.