Computational mathematics for model reduction and predictive modelling in molecular and complex systems  21 - 29 May 2019

Room : GA 3 21

Organisers

Markos Katsoulakis, University of Massachusetts Amherst

Benedict Leimkuhler, University of Edinburgh

Petr Plechac, University of Delaware

Anders Szepessy, KTH Royal Institute of Technology

The workshop will address computational and theoretical issues in stochastic modeling and model reduction in molecular and complex systems. In particular, the program will include topics ranging from quantum to mesoscale modelling, with focus on uncertainty quantification, machine learning and approximate inference method, methods using both quantum and classical models, semiclassical limits and their computational aspect. Furthermore, the interplay between mathematical analysis, modeling and statistical physics and trade-offs between statistical (data-driven) learning and physicochemical modelling will be part of the discussions. The workshop aims at bringing together mathematicians and domain scientists interested in applications such as systems with excited states, empirical potentials, kinetic Monte Carlo methods and accelerated simulation methods determined from molecular dynamics, data assimilation and inference for predictive modeling of complex molecular systems.

Workshop schedule and recordings
Poster Session: Book of abstracts
CECAM website

Name University Dates of visit
Assyr Abdulle EPFL 20/05/2019 - 30/05/2019
Artemi Bendandi Istituto Italiano di Tecnologia 20/05/2019 - 29/05/2019
Panagiota Birmpa University of Massachusetts 20/05/2019 - 30/05/2019
Christian Blau SciLifeLab 21/05/2019 - 26/05/2019
Eric Cances Ecole des Ponts ParisTech 20/05/2019 - 28/05/2019
Michele Ceriotti EPFL 21/05/2019 - 29/05/2019
William Curtin EPFL 27/05/2019 - 29/05/2019
Christoph Dellago Universität Wien 27/05/2019 - 29/05/2019
Gregoire Ferre Ecole des Ponts, ParisTech 20/05/2019 - 29/05/2019
Hamid Ghasemi Howard University 20/05/2019 - 30/05/2019
François Gygi University of California Davis 20/05/2019 - 30/05/2019
Jiequn Han Princeton University 20/05/2019 - 29/05/2019
Vangelis Harmandaris University of Crete & IACM/FORTH 20/05/2019 - 30/05/2019
Carsten Hartmann BTU Cottbus-Senftenberg 26/05/2019 - 29/05/2019
Gerhard Hummer Max Planck Institute of Biophysics 26/05/2019 - 29/05/2019
Markos Katsoulakis University of Massachusetts Amherst 21/05/2019 - 01/06/2019
Efthimios Kaxiras Harvard University 26/05/2019 - 30/05/2019
Bettina Keller Freie Universität Berlin 20/05/2019 - 30/05/2019
James Kermode University of Warwick 26/05/2019 - 29/05/2019
Petros Koumoutsakos ETHZ 23/05/2019 - 24/05/2019
Phaedon-Stelios Koutsourelakis Technische Universität München 26/05/2019 - 29/05/2019
Adrien Laurent UNIGE 21/05/2019 - 29/05/2019
Benedict Leimkuhler University of Edinburgh 20/05/2019 - 28/05/2019
Tony Lelièvre Ecole des Ponts ParisTech 21/05/2019 - 24/05/2019
Diego Liberati National research council of Italy 21/05/2019 - 29/05/2019
Mitchell Luskin University of Minnesota 20/05/2019 - 29/05/2019
John Maddocks EPFL 21/05/2019 - 29/05/2019
Anton Martinsson University of Edinburgh 20/05/2019 - 30/05/2019
Laurent Michel Université de Bordeaux 20/05/2019 - 24/05/2019
Christoph Ortner University of Warwick 20/05/2019 - 23/05/2019
Cecilia Pagliantini EPFL 20/05/2019 - 30/05/2019
Yannis Pantazis FORTH - IACM 26/05/2019 - 30/05/2019
Paul Patrone NIST 20/05/2019 - 30/05/2019
Frank Pinski University of Cincinnati 20/05/2019 - 30/05/2019
Petr Plechac University of Delaware 20/05/2019 - 29/05/2019
Luc Rey-Bellet University of Massachusetts Amherst 20/05/2019 - 24/05/2019
Jutta Rogal Ruhr-Universität Bochum 21/05/2019 - 29/05/2019
Emanuel Rubensson Uppsala University 20/05/2019 - 30/05/2019
Matthias Sachs Duke University 20/05/2019 - 30/05/2019
Mattias Sandberg KTH Royal Institute of Technology 20/05/2019 - 30/05/2019
Gideon Simpson Drexel University 20/05/2019 - 25/05/2019
Michail Stamatakis University College London 27/05/2019 - 29/05/2019
Gabriel Stoltz Ecole des Ponts ParisTech 21/05/2019 - 29/05/2019
Thomas Swinburne CNRS 26/05/2019 - 30/05/2019
Krzystof Szalewicz University of Delaware 26/05/2019 - 30/05/2019
Anders Szepessy KTH Royal Institute of Technology 20/05/2019 - 30/05/2019
Brian Van Koten University of Massachusetts Amherst 20/05/2019 - 30/05/2019
Eric Vanden-Eijnden New York University 20/05/2019 - 24/05/2019
Gilles Vilmart UNIGE 20/05/2019 - 30/05/2019
Tiffany Vlaar University of Edinburgh 20/05/2019 - 30/05/2019
Jonathan Weare New York University 20/05/2019 - 25/05/2019
Thomas Weymuth ETHZ 21/05/2019 - 21/05/2019
Hessam Yazdani Howard University 20/05/2019 - 30/05/2019
Total Guests : 53
Name University Dates of visit
Eric Cances Ecole des Ponts ParisTech 20/05/2019 - 28/05/2019
Michele Ceriotti EPFL 21/05/2019 - 29/05/2019
Christoph Dellago Universität Wien 27/05/2019 - 29/05/2019
François Gygi University of California Davis 20/05/2019 - 30/05/2019
Jiequn Han Princeton University 20/05/2019 - 29/05/2019
Vangelis Harmandaris University of Crete & IACM/FORTH 20/05/2019 - 30/05/2019
Carsten Hartmann BTU Cottbus-Senftenberg 26/05/2019 - 29/05/2019
Gerhard Hummer Max Planck Institute of Biophysics 26/05/2019 - 29/05/2019
Efthimios Kaxiras Harvard University 26/05/2019 - 30/05/2019
James Kermode University of Warwick 26/05/2019 - 29/05/2019
Petros Koumoutsakos ETHZ 23/05/2019 - 24/05/2019
Phaedon-Stelios Koutsourelakis Technische Universität München 26/05/2019 - 29/05/2019
Tony Lelièvre Ecole des Ponts ParisTech 21/05/2019 - 24/05/2019
Mitchell Luskin University of Minnesota 20/05/2019 - 29/05/2019
Laurent Michel Université de Bordeaux 20/05/2019 - 24/05/2019
Christoph Ortner University of Warwick 20/05/2019 - 23/05/2019
Yannis Pantazis FORTH - IACM 26/05/2019 - 30/05/2019
Paul Patrone NIST 20/05/2019 - 30/05/2019
Luc Rey-Bellet University of Massachusetts Amherst 20/05/2019 - 24/05/2019
Jutta Rogal Ruhr-Universität Bochum 21/05/2019 - 29/05/2019
Emanuel Rubensson Uppsala University 20/05/2019 - 30/05/2019
Matthias Sachs Duke University 20/05/2019 - 30/05/2019
Gideon Simpson Drexel University 20/05/2019 - 25/05/2019
Michail Stamatakis University College London 27/05/2019 - 29/05/2019
Gabriel Stoltz Ecole des Ponts ParisTech 21/05/2019 - 29/05/2019
Krzystof Szalewicz University of Delaware 26/05/2019 - 30/05/2019
Brian Van Koten University of Massachusetts Amherst 20/05/2019 - 30/05/2019
Eric Vanden-Eijnden New York University 20/05/2019 - 24/05/2019
Gilles Vilmart UNIGE 20/05/2019 - 30/05/2019
Jonathan Weare New York University 20/05/2019 - 25/05/2019
Thomas Weymuth ETHZ 21/05/2019 - 21/05/2019
Hessam Yazdani Howard University 20/05/2019 - 30/05/2019
Total Guests : 32