2 papers
physics.comp-ph2025
From Atoms to Dynamics: Learning the Committor Without Collective Variables
Sergio Contreras Arredondo, Chenyu Tang, Radu A. Talmazan +3
This Brief Communication introduces a graph-neural-network architecture built on geometric vector perceptrons to predict the committor function directly from atomic coordinates, by…
cond-mat.soft2022
Thermal versus entropic Mpemba effect in molecular gases with nonlinear drag
Alberto Megías, Andrés Santos, Antonio Prados
Loosely speaking, the Mpemba effect appears when hotter systems cool sooner or, in a more abstract way, when systems further from equilibrium relax faster. In this paper, we invest…