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Study on the temperature dependence of the bulk modulus of polyisoprene by molecular dynamics simulations

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Assessment of approximate solutions of the quantum–classical Liouville equation for dynamics simulations of quantum subsystems embedded in classical environments

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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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On the properties of aqueous amide solutions through classical molecular dynamics simulations

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