Chemical potential of liquids and mixtures via adaptive resolution simulation.
Agarwal A, Wang H, Schütte C, Delle Site L.
Agarwal A, et al. Among authors: schutte c.
J Chem Phys. 2014 Jul 21;141(3):034102. doi: 10.1063/1.4886807.
J Chem Phys. 2014.
PMID: 25053296
We employ the adaptive resolution approach AdResS, in its recently developed Grand Canonical-like version (GC-AdResS) [H. Wang, C. Hartmann, C. Schutte, and L. Delle Site, Phys. Rev. X 3, 011018 (2013)], to calculate the excess chemical potential, mu(ex), of …
We employ the adaptive resolution approach AdResS, in its recently developed Grand Canonical-like version (GC-AdResS) [H. Wang, C. Ha …