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Michele Invernizzi's Projects

lammps icon lammps

Public development project of the LAMMPS MD software package

masterclass-22-12 icon masterclass-22-12

Data for PLUMED Masterclass 22.12 - Liquid-solid chemical potential differences with the environment similarity CV

opes icon opes

Rethinking Metadynamics: From Bias Potentials to Probability Distributions

opes-ala2 icon opes-ala2

Simple examples of different OPES target distributions, using alanine dipeptide in vacuum

opes-explore icon opes-explore

Exploration vs Convergence Speed in Adaptive-bias Enhanced Sampling

vesdeltaf icon vesdeltaf

Making the Best of a Bad Situation: A Multiscale Approach to Free Energy Calculation

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