159 citations · 167 across the 4 of their papers we have counts for
3 papers · 1 filter
Electrified Metal-Water Interfaces at Constant Potential: Data-Efficient Transfer Learning for Machine-Learning-Based Molecular Dynamics
Michele Giovanni Bianchi, Michele Re Fiorentin, Francesca Risplendi +4
Simulating electrified metal-water interfaces with explicit solvent under constant potential is essential for understanding electrochemical processes, yet remains prohibitively exp…
A modified nudged elastic band algorithm with adaptive spring lengths
Davide Mandelli, Michele Parrinello
We present a modified version of the nudged elastic band (NEB) algorithm to find minimum energy paths con-necting two known configurations. We show that replacing the harmonic band…
Silicon liquid structure and crystal nucleation from ab-initio deep Metadynamics
Luigi Bonati, Michele Parrinello
Studying the crystallization process of silicon is a challenging task since empirical potentials are not able to reproduce well the properties of both semiconducting solid and meta…