Systematic hierarchical coarse-graining with the inverse Monte Carlo method.
Lyubartsev AP, Naômé A, Vercauteren DP, Laaksonen A.
Lyubartsev AP, et al. Among authors: laaksonen a.
J Chem Phys. 2015 Dec 28;143(24):243120. doi: 10.1063/1.4934095.
J Chem Phys. 2015.
PMID: 26723605
The effective potentials are obtained by applying the inverse Monte Carlo (IMC) method [A. P. Lyubartsev and A. Laaksonen, Phys. Rev. E 52(4), 3730-3737 (1995)] on a chosen subset of degrees of freedom described in terms of radial distribution function …
The effective potentials are obtained by applying the inverse Monte Carlo (IMC) method [A. P. Lyubartsev and A. Laaksonen …