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…
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…
Accelerated Atomistic Simulations of a Supramolecular Polymer in Water
Davide Bochicchio, Giovanni M. Pavan
All-atom molecular dynamics has been recently proven a useful tool for the study of supramolecular polymers. While the high resolution offered by the atomistic models may allow for…