Automatic Optimization of Lipid Models in the Martini Force Field Using SwarmCG. - Charly Empereur-mot; Kasper B. Pedersen; Riccardo Capelli; Martina Crippa; Cristina Caruso; Mattia Perrone; Paulo C. T. Souza; Siewert J. Marrink; Giovanni M. Pavan (J. Chem. Inf. Model., 2023)

Machine learning of microscopic structure-dynamics relationships in complex molecular systems. - Martina Crippa; Annalisa Cardellini; Matteo Cioni; Gábor Csányi; Giovanni M. Pavan (Mach. Learn. Sci. Technol., 2023)

A data driven approach to classify descriptors based on their efficiency in translating noisy trajectories into physically-relevant information. - Simone Martino; Domiziano Doria; Chiara Lionello; Matteo Becchi; Giovanni M. Pavan (CoRR, 2024)