Derivation of coarse-grained potentials via multistate iterative Boltzmann inversion.

Moore TC, Iacovella CR, McCabe C
J Chem Phys. 2014 140 (22): 224104

PMID: 24929371 · PMCID: PMC4187284 · DOI:10.1063/1.4880555

MeSH Terms (6)

Algorithms Molecular Dynamics Simulation Phase Transition Propane Thermodynamics Water

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