"An extended-Lagrangian scheme for charge equilibration in reactive ..."

Ken-ichi Nomura et al. (2015)

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DOI: 10.1016/J.CPC.2015.02.023

access: closed

type: Journal Article

metadata version: 2020-02-21

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Ken-ichi Nomura, Patrick E. Small, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta:
An extended-Lagrangian scheme for charge equilibration in reactive molecular dynamics simulations. Comput. Phys. Commun. 192: 91-96 (2015)

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