The constant-pressure molecular dynamics for finite systems and its applications
classification
❄️ cond-mat.mtrl-sci
keywords
methodconstant-pressuredynamicsfinitemolecularsystemsadvancesapplications
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Recently we proposed a new constant-pressure molecular dynamics method for finite systems. In this paper, we discuss the current understanding of this method and its technique details. We also review the recent theoretical advances of nano-system under pressure by using this method.
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