28 citations · 118 across the 8 of their papers we have counts for
3 papers · 1 filter
Classifying soft self-assembled materials via unsupervised machine learning of defects
Andrea Gardin, Claudio Perego, Giovanni Doni +1
Unlike molecular crystals, soft self-assembled fibres, micelles, vesicles, etc., exhibit a certain order in the arrangement of their constitutive monomers, but also high structural…
Ephemeral ice-like local environments in classical rigid models of liquid water
Riccardo Capelli, Francesco Muniz-Miranda, Giovanni M. Pavan
Despite great efforts over the past 50 years, the simulation of water still presents significant challenges and open questions. At room temperature and pressure, the collective mol…
Automatic Multi-Objective Optimization of Coarse-Grained Lipid Force Fields Using SwarmCG
Charly Empereur-mot, Riccardo Capelli, Mattia Perrone +3
The development of coarse-grained (CG) molecular models typically requires a time-consuming iterative tuning of parameters in order to have the approximated CG models behaving corr…