Many-Body Neural Network-Based Force Field for Structure-Based Coarse-Graining of Water

Moradzadeh, A.; Aluru, N. R.

doi:10.1021/acs.jpca.1c09786

Many-Body Neural Network-Based Force Field for Structure-Based Coarse-Graining of Water

Journal Article · 22 March 2022 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

DOI:https://doi.org/10.1021/acs.jpca.1c09786· OSTI ID:1977952

^[1]; ^[2]

Department of Mechanical Science and Engineering, University of Illinois at Urbana−Champaign, Urbana, Illinois 61801, United States
Oden Institute for Computational Engineering and Sciences, Walker Department of Mechanical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States

Not provided.

Research Organization:: Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0019112

OSTI ID:: 1977952

Journal Information:: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Vol. 126, Issue 12; ISSN 1089-5639

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

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