Name: Luigi Bonati
Type: User
Company: Italian Institute of Technology (IIT)
Bio: Postdoctoral researcher
Atomistic Simulations, IIT, Genoa, Italy
>> Machine learning for enhanced sampling simulations <<
Twitter: luigibonati
Location: Genoa, Italy
Blog: https://luigibonati.github.io/
Luigi Bonati's Projects
Atomic Simulation Environment: A Python library for working with atoms
Repository with conda recipes for LAMMPS, GROMACS, etc (WIP)
Supporting material for the paper "Data driven collective variables for enhanced sampling"
Supporting data for the manuscript "Deep learning the slow modes for rare events sampling"
Supporting data for the DEEP-VES paper
An open-source Python package for creating fast and accurate interatomic potentials.
A unified framework for machine learning collective variables for enhanced sampling simulations
Dummy repository to redirect mlcvs to mlcolvar
ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"
Rethinking Metadynamics: From Bias Potentials to Probability Distributions
Development version of plumed 2
Development version of PLUMED2 plugin for enhanced sampling simulations, synced with https://github.com/plumed/plumed2
Hands-on session on Free energies and enhanced sampling - ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"