A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the isobaric–isothermal ensemble

Author： Keffer D. J.   Baig C.   Adhangale P.   Edwards B. J.  

Publisher： Taylor & Francis Ltd

ISSN： 0892-7022

Source： Molecular Simulation, Vol.32, Iss.5, 2006-04, pp. : 345-356

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