2 papers
physics.chem-ph2023
Machine learning of microscopic structure-dynamics relationships in complex molecular systems
Martina Crippa, Annalisa Cardellini, Matteo Cioni +2
In many complex molecular systems, the macroscopic ensemble's properties are controlled by microscopic dynamic events (or fluctuations) that are often difficult to detect via patte…
cond-mat.soft2018
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…