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

By Keffer D. J.   Baig C.   Adhangale P.   Edwards B. J.  

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

Taylor & Francis Ltd

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Molecular dynamics simulation of time-irreversibility of stationary heat flux

By Mima Toshiki   Yasuoka Kenji   Nosé Shuichi  

Molecular Simulation, Vol. 33, Iss. 1-2, 2007-01 ,pp. : 109-113

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A molecular dynamics study of liquid aliphatic alcohols: simulation of density and self-diffusion coefficient using a modified OPLS force field

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Molecular Simulation, Vol. 39, Iss. 9, 2013-08 ,pp. : 754-767

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A continuum-atomistic method for incorporating Joule heating into classical molecular dynamics simulations

By Padgett Clifford W.   Brenner Donald W.  

Molecular Simulation, Vol. 31, Iss. 11, 2005-09 ,pp. : 749-757

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Heat conduction analysis of nano-tip and storage medium in thermal-assisted data storage using molecular dynamics simulation

By Liu X. J.   Yang J. P.   Yang Y. W.  

Molecular Simulation, Vol. 34, Iss. 1, 2008-01 ,pp. : 57-63

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