Conferences & workshops
We contribute to focused meetings in molecular simulation, free-energy theory and computational reaction mechanisms, connecting methodological development with experimentally tractable questions.
Upcoming in 2026
Current discussions span charge and proton transfer in energy materials, integration of biomolecular simulation with experiment, and the theory and computation of rough free-energy landscapes.
A CECAM flagship workshop on electronic, ionic and protonic transport, bringing first-principles simulation, molecular dynamics and machine-learning approaches into contact with operando and spectroscopic observables.
A flagship workshop addressing the quantitative integration of simulations and experiments from single molecules to organelles, including enhanced sampling, data assimilation and machine-learning-enabled multiscale models.
An advanced school on enhanced-sampling theory and computation for rugged free-energy landscapes, with applications to biomolecular mechanisms, rare events and statistically rigorous kinetic inference.
Recent meetings
Selected conferences, workshops and meetings attended or organised by the group.
Invite or collaborate
Contact the group about scientific talks, research visits, panel discussions and advanced molecular-simulation training.
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