Erice School Speakers

Tristan Bereau, Univeristy of Amsterdam: Data-Driven Multiscale Simulations in Soft Matter

Tamara Bidone, University of Utah: Brownian Dynamics Simulations for Kinetic Studies of Complex Biological Systems

*Peter Bolhuis, University of Amsterdam: Learning from Sampled Path Ensembles of Activated Molecular Processes

Cecilia Clementi, Rice University: Learning Molecular Models from Simulation and Experimental Data

Bernd Ensing, University of Amsterdam: Path-Metadynamics and Machine Learning to Find Pathways in Free Energy Landscape

Francesco Gervasio, University College London: Combining Machine Learning and Enhanced Sampling Techniques for Efficient and Accurate Calculation of Absolute Binding Free Energies

Helmut Grubmüller, Max Planck Institute for Biophysical Chemistry: Determining Free Energy Differences Through Variational Alchemical Intermediates

Glen Hocky, New York University: New Tempering Methods for Fun and Profit

Gerhard Hummer, Max Planck Institute for Theoretical Biophysics: Accelerated Sampling with Machine Learning

Frank Noé, Free University Berlin: Boltzmann Generators: Sampling Equilibrium States of Many-Body Systems with Deep Learning

Michele Parrinello, Swiss Federal Institute of Technology Zürich: From Collective Variables to Descriptors

Christine Peter, Universität Konstanz: Machine Learning Driven analysis and Scale Bridging of Molecular Simulations

*Edina Rosta, King’s College London: Mean First Passage Times and Coarse-Graining of Kinetic Networks

Andela Saric, University College London: Modelling Protein Nanomachinery in Living Cells

+John Straub, Boston University: What We Know and Don’t Know About Protein Partitioning in Heterogeneous Membrane

Gareth Tribello, Queen’s University Belfast: Calculating Surface Excess Free Energies.

Mark Tuckerman, New York University: Combining Enhanced Sampling and Machine Learning in the Generation and Utillizaiton of High-Dimensional Free-Energy Surfaces

*Omar Valsson, Swiss Federal Institute of Technology Zürich: Recent Developments and Applications of Variationally Enhanced Sampling

Greg Voth, University of Chicago: Recent Advances in Coarse-graining with Connections to Free Energy Sampling

Martin Zacharias, Technische Universität München: Free Energy Simulation of DNA Recognition and Melting

* EBSA Sponsered Speaker

+ SFB Priority Programme Speaker