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Title: An atomistic fingerprint algorithm for learning ab initio molecular force fields

Authors:
ORCiD logo [1];  [1];  [1]
  1. Division of Applied Mathematics, Brown University, Providence, Rhode Island 02912, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1417101
Grant/Contract Number:  
Collaboratory on Mathematics for Mesoscopic Modeling of Materials
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 148 Journal Issue: 3; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Tang, Yu-Hang, Zhang, Dongkun, and Karniadakis, George Em. An atomistic fingerprint algorithm for learning ab initio molecular force fields. United States: N. p., 2018. Web. doi:10.1063/1.5008630.
Tang, Yu-Hang, Zhang, Dongkun, & Karniadakis, George Em. An atomistic fingerprint algorithm for learning ab initio molecular force fields. United States. doi:10.1063/1.5008630.
Tang, Yu-Hang, Zhang, Dongkun, and Karniadakis, George Em. Sun . "An atomistic fingerprint algorithm for learning ab initio molecular force fields". United States. doi:10.1063/1.5008630.
@article{osti_1417101,
title = {An atomistic fingerprint algorithm for learning ab initio molecular force fields},
author = {Tang, Yu-Hang and Zhang, Dongkun and Karniadakis, George Em},
abstractNote = {},
doi = {10.1063/1.5008630},
journal = {Journal of Chemical Physics},
number = 3,
volume = 148,
place = {United States},
year = {Sun Jan 21 00:00:00 EST 2018},
month = {Sun Jan 21 00:00:00 EST 2018}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1063/1.5008630

Citation Metrics:
Cited by: 3 works
Citation information provided by
Web of Science

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Works referenced in this record:

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
journal, December 1992

  • Rappe, A. K.; Casewit, C. J.; Colwell, K. S.
  • Journal of the American Chemical Society, Vol. 114, Issue 25, p. 10024-10035
  • DOI: 10.1021/ja00051a040