Michele Invernizzi's Projects
Public development project of the LAMMPS MD software package
Skipping the replica exchange ladder with normalizing flows
Repository of the data for PLUMED Masterclass 22.3
Data for PLUMED Masterclass 22.12 - Liquid-solid chemical potential differences with the environment similarity CV
Rethinking Metadynamics: From Bias Potentials to Probability Distributions
Simple examples of different OPES target distributions, using alanine dipeptide in vacuum
Exploration vs Convergence Speed in Adaptive-bias Enhanced Sampling
Rare Event Kinetics from Adaptive Bias Enhanced Sampling
Unified Approach to Enhanced Sampling
Draft nest
Development version of plumed 2
Making the Best of a Bad Situation: A Multiscale Approach to Free Energy Calculation