159 citations · 167 across the 4 of their papers we have counts for
4 papers
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…
Sequent Calculus in the Topos of Trees
Ranald Clouston, Rajeev Goré
Nakano's "later" modality, inspired by Gödel-Löb provability logic, has been applied in type systems and program logics to capture guarded recursion. Birkedal et al modelled this m…