Revisiting particle dynamics in the NPT ensemble under the extended Lagrangian approach
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DOI: 10.1080/08927022.2023.2195010
Abstract: ABSTRACT Two main lines of research have been developed to simulate particle systems under thermodynamic conditions. The traditional line is based on the extended Lagrangian approach and the rigorous one is based on Lagrangian theory.… read more here.
Keywords: revisiting particle; ensemble extended; lagrangian approach; approach ... See more keywords