Convergence of stochastic-extended Lagrangian molecular dynamics method for polarizable force field simulation

An, Dong; Cheng, Sara Y.; Head-Gordon, Teresa; Lin, Lin; Lu, Jianfeng

doi:10.1016/j.jcp.2021.110338

Convergence of stochastic-extended Lagrangian molecular dynamics method for polarizable force field simulation

Journal Article · Sun Aug 01 00:00:00 EDT 2021 · Journal of Computational Physics

DOI:https://doi.org/10.1016/j.jcp.2021.110338· OSTI ID:1781223

An, Dong; ; Head-Gordon, Teresa; ; Lu, Jianfeng

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View Accepted Manuscript (Publisher)

Sponsoring Organization:: USDOE

OSTI ID:: 1781223

Alternate ID(s):: OSTI ID: 23206072

Journal Information:: Journal of Computational Physics, Journal Name: Journal of Computational Physics Journal Issue: C Vol. 438; ISSN 0021-9991

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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