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Carsten Hartmann, Freie Universität Berlin
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Grigorios Pavliotis, Imperial College London
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Gabriel Stoltz, École des Ponts ParisTech
About:
By bringing together researchers in computational statistical mechanics and molecular dynamics this workshop fostered closer contact and facilitated the exchange of ideas and expertise. The programme explored recent examples of cross-fertilisation between molecular dynamics and statistics through a series of lectures which laid the basics of each field.
Speakers:
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Michael Allen, University of Warwick - Molecular Simulation and Statistical Mechanics from a Practical Viewpoint
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Omiros Papaspiliopoulos, Universitat Pompeu Fabra - The Gibbs Sampler: Geometry and Algorithms
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Ben Leimkuhler, University of Edinburgh - Weak Convergence of Numerical Methods for Stochastic Gradient Systems in the T->Infinity Limit
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Christophe Andrieu, University of Bristol - Exact Approximate Monte Carlo
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Tony Lelièvre, École Nationale des Ponts et Chaussées - Numerical Methods in Molecular Dynamics
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Maria Cameron, University of Maryland - Analysis Tools for Networks Representing Energy Landscapes
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Pierre Jacob, University of Oxford - On Non-Negative Unbiased Estimators
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Francis Pinski, University of Cincinnati - Theory of Fluctuations in a Thermodynamic System and the Limitations of the Onsager-Machlup Functional
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Rosalind Allen, University of Edinburgh - Trajectory Reweighting: Smart Sampling in Non-Equilibrium Simulations
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Jonathan Weare, University of Chicago - Stratification of Markov Processes for Rare Event Simulation
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Gabriel Stoltz, École des Ponts & Inria Rocquencourt - Computer Simulations: the Third Way of Doing Science
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Arnaud Guyader, Université de Rennes - Rare Event Simulation for Molecular Dynamics
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Michela Ottobre, Imperial College London - Diffusion Limit for Random Walk Metropolis Algorithm Started Out of Stationarity
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Christophe Chipot, Université de Lorraine/CNRS - Efficient Determination of Protein-Ligand Standard Binding Free Energies and Permeabilities with a Computational Microcalorimeter
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Jérôme Hénin, Laboratoire de Biochimie Théorique - Ergodic Sampling in Biomolecular Simulations Using Adaptive Collective Variable Biases
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Antonietta Mira, Università della Svizzeria Italiana - Variance Reduction Strategies for MCMC Simulation
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Hilbert Kappen, Radboud University - Optimal Sampling for Optimal Control
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Johannes Zimmer, University of Bath - Entropic Flows and Their Stochastic Corrections for Particle Models
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Christian Robert, Université Paris-Dauphine & University of Warwick - Selection of Summary Statistics for ABC
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Hugo Touchette, University of Stellenbosch - Nonequilibrium Markov Processes Conditioned on Large Deviations
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Benjamin Jourdain, École des Ponts - Optimal Scaling of the Transient Phase of Metropolis Hastings Algorithms
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Alexandros Beskos, University College London - Sequential Monte Carlo Methods for Applications in High Dimensions