Molecular systems with open boundaries: Theory and simulation
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DOI: 10.1016/j.physrep.2017.05.007
Abstract: Typical experimental setups for molecular systems must deal with a certain coupling to the external environment, that is, the system is open and exchanges mass, momentum, and energy with its surroundings. Instead, standard molecular simulations… read more here.
Keywords: molecular systems; boundaries theory; open boundaries; simulation ... See more keywords