Scientific Talks
2023
Bonati L.
A unified framework for machine learning collective variables for enhanced sampling: mlcolvar
Biomolecular & Pharmaceutical Modelling Group, University of Geneva, 30th June 2023
Institute
2023
Bonati L.
Enhancing sampling with machine learning: from data-driven collective variables to realistic applications in heterogeneous catalysis
MolSSI Workshop: Machine Learning and Chemistry: Are We There Yet? 31 May - 2 June, University of Maryland (USA)
Workshop/Symposium
2023
Bonati L.
Machine learning collective variables for enhanced sampling
CECAM Workshop: Machine learning collective variables for enhanced sampling, 5th July 2023, EPFL (CH)
Workshop/Symposium
2023
Bonati L.
Machine learning collective variables for enhanced sampling simulations
Molecular Biophysics, Stockholm (remote talk), 12th December 2023
Institute
2023
Bonati L.
Machine learning & enhanced sampling: a synergistic interplay
CECAM workshop Quantum2, 29th November 2023, EPFL (CH)
Workshop/Symposium
2022
Bonati L.
Deep learning the slow modes for rare events sampling
CECAM Workshop: Machine Learning Augmented Sampling for the Molecular Sciences, 11-13 May, EPFL Lausanne (CH)
Workshop/Symposium
2022
Bonati L.
Free energies and enhanced sampling
“Machine Learning for Materials Hard and Soft” ESI-DCAFM-TACO-VDSP Summer School, 11-22 July, Vienna
School (Summer school, ...)
2022
Bonati L.
Machine learning collective variables for rare events sampling: from classifiers to slow modes
CECAM Workshop: Chasing CVs using Machine Learning: from methods development to biophysical applications, INRIA Paris, 28-30 June 2022
Workshop/Symposium
2022
Bonati L.
Machine learning collective variables with PyTorch
PLUMED Masterclass Lectures, 28/03 and 4/04, Online (https://www.plumed.org/masterclass)
School (Summer school, ...)
2021
Bonati L.
Training collective variables for enhanced sampling via neural network based discriminant analysis
CECAM Mixed-Gen Session 1 - Activated events
Workshop/Symposium