1 citations · 1 across the 1 of their papers we have counts for
3 papers
PHASE: encoding global protein ensembles with local Hamiltonians and all-atom backmapping
Daniele Angioletti, Marco Nobile, Matteo Carli +1
Protein function is governed by conformational ensembles, which can be viewed as high-dimensional probability distributions over molecular conformations. Yet the statistical organi…
Density Estimation via Binless Multidimensional Integration
Matteo Carli, Alex Rodriguez, Alessandro Laio +1
We introduce the Binless Multidimensional Thermodynamic Integration (BMTI) method for nonparametric, robust, and data-efficient density estimation. BMTI estimates the logarithm of…
Coupled reaction and diffusion governing interface evolution in solid-state batteries
Jingxuan Ding, Laura Zichi, Matteo Carli +4
Understanding and controlling the atomistic-level reactions governing the formation of the solid-electrolyte interphase (SEI) is crucial for the viability of next-generation solid…