Constant pressure-constant temperature molecular dynamics for rigid and partially rigid molecular systems

By Ferrario M.   Ryckaert J.P.  

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Multiple time scale methods for constant pressure molecular dynamics simulations of molecular systems

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Novel molecular dynamics simulations at constant pressure

By Winkler R.G.   Morawitz H.   Yoon D.Y.  

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A comparison of constant energy, constant temperature and constant pressure ensembles in molecular dynamics simulations of atomic liquids

By Brown D.   Clarke J.H.R.  

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