Machine Learning Assisted Molecular (Thermo)Dynamics
- Dates
- Type
- workshop
- Format
- in-person
- Location
- CECAM-HQ-EPFL, Lausanne, Switzerland
- Organiser
- Michele Ceriotti, Marylou Gabrié, Simon Olsson, Grant Rotskoff
- Official page
- https://www.cecam.org/workshop-details/machine-learning-assisted-molecular-thermodynamics-1480
- Dates from
- https://www.cecam.org/workshop-details/machine-learning-assisted-molecular-thermodynamics-1480
- Topics
CECAM Flagship workshop on machine learning for molecular simulations, covering ML interatomic potentials, coarse-grained models, and generative models. It brings together researchers from computational chemistry, physics, applied maths, and ML to discuss advances and key challenges in transferability, reliability, scalability, and bridging timescales, connecting short-time dynamics with long-time conformational sampling and kinetic observables.