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Title: Development of reactive force fields using ab initio molecular dynamics simulation minimally biased to experimental data

Authors:
 [1] ;  [2] ; ORCiD logo [2]
  1. Department of Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, USA, College of Chemistry and Molecular Sciences, Hubei Key Laboratory of Electrochemical Power Sources, Wuhan University, Wuhan 430072, China
  2. Department of Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, USA
Publication Date:
Grant/Contract Number:
SC0005418
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 147 Journal Issue: 16; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1373443

Chen, Chen, Arntsen, Christopher, and Voth, Gregory A. Development of reactive force fields using ab initio molecular dynamics simulation minimally biased to experimental data. United States: N. p., Web. doi:10.1063/1.4985903.
Chen, Chen, Arntsen, Christopher, & Voth, Gregory A. Development of reactive force fields using ab initio molecular dynamics simulation minimally biased to experimental data. United States. doi:10.1063/1.4985903.
Chen, Chen, Arntsen, Christopher, and Voth, Gregory A. 2017. "Development of reactive force fields using ab initio molecular dynamics simulation minimally biased to experimental data". United States. doi:10.1063/1.4985903.
@article{osti_1373443,
title = {Development of reactive force fields using ab initio molecular dynamics simulation minimally biased to experimental data},
author = {Chen, Chen and Arntsen, Christopher and Voth, Gregory A.},
abstractNote = {},
doi = {10.1063/1.4985903},
journal = {Journal of Chemical Physics},
number = 16,
volume = 147,
place = {United States},
year = {2017},
month = {10}
}