28 citations · 118 across the 8 of their papers we have counts for
4 papers · 1 filter
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…
TimeSOAP: Tracking high-dimensional fluctuations in complex molecular systems via time-variations of SOAP spectra
Cristina Caruso, Annalisa Cardellini, Martina Crippa +2
Many molecular systems and physical phenomena are controlled by local fluctuations and microscopic dynamical rearrangements of the constitutive interacting units that are often dif…
Detecting dynamic domains and local fluctuations in complex molecular systems via timelapse neighbors shuffling
Martina Crippa, Annalisa Cardellini, Cristina Caruso +1
Many complex molecular systems owe their properties to local dynamic rearrangements or fluctuations that, despite the rise of machine learning (ML) and sophisticated structural des…
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…