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physics.chem-ph2013★ 24 cited
Exploring the conformational dynamics of alanine dipeptide in solution subjected to an external electric field: A nonequilibrium molecular dynamics simulation
Han Wang, Christof Schütte, Giovanni Ciccotti +1
In this paper, we investigate the conformational dynamics of alanine dipeptide under an external electric field by nonequilibrium molecular dynamics simulation. We consider the cas…
physics.chem-ph2013★ 1 cited
Is there a third order phase transition for supercritical fluids?
Jinglong Zhu, Pingwen Zhang, Han Wang +1
We prove that according to Molecular Dynamics (MD) simulations of liquid mixtures of Lennard-Jones (L-J) particles, there is no third order phase transition in the supercritical re…