128 citations · 128 across the 3 of their papers we have counts for
3 papers
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…
Dimer Metadynamics
Marco Nava, Ferruccio Palazzesi, Claudio Perego +1
Sampling complex potential energies is one of the most pressing challenges of contemporary computational science. Inspired by recent efforts that use quantum effects and discretize…
Molecular Dynamics Simulations of Solutions at Constant Chemical Potential
Claudio Perego, Matteo Salvalaglio, Michele Parrinello
Molecular Dynamics studies of chemical processes in solution are of great value in a wide spectrum of applications, which range from nano-technology to pharmaceutical chemistry. Ho…