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Elsevier, Journal of Computational Physics, 1(225), p. 1-5

DOI: 10.1016/j.jcp.2007.03.010

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Correcting Mesh-Based Force Calculations to Conserve Both Energy and Momentum in Molecular Dynamics Simulations

Journal article published in 2007 by Robert D. Skeel, David J. Hardy ORCID, James C. Phillips
This paper is available in a repository.
This paper is available in a repository.

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Abstract

In 1999, Jean-Paul Caltagirone and Jerome Breil have developed in their paper [Caltagirone, J. Breil, Sur une methode de projection vectorielle pour la resolution des equations de Navier-Stokes, C.R. Acad. Sci. Paris 327(Serie II b) (1999) 1179-1184] ...