Program & Timetable

NB: The panels for the posters are 120 cm x 80 cm Poster Sessions (PDF file)

Invited Speaker Talks:

Peter Bolhuis, University of AmsterdamImproving molecular models with path reweighting methods that constrain dynamical observables
Paolo Carloni, Forschungszentrum Julich
David Ceperley, University of Illinois UrbanaMD of dense H2 informed by QMC
Giovanni Ciccotti, Sapienza University RomeContinuum mechanics from atomistic dynamics
David Coker, University of Boston
Marco de Vivo, IIT Genova
Christoph Dellago, University of Vienna
Machine learning for rare events
Daan Frenkel, University of CambridgeComputer simulation and Boltzmann’s unfinished business
Hardy Gross, Max Planck InstituteWhat’s the “right” classical force on the nuclei?
Ivaylo Ivanov, Georgia State University Advanced computational modeling of molecular machines in transcription initiation and DNA repair
George Jackson, Imperial College London The SAFT-g top-down coarse-graining approach
Cristian Micheletti , SISSA ItalyTopologically-complex self-assemblies
Agostino Migliore, University of Padova
Marcus Müller, G.A. Universität GöttingenProcess-directed self-assembly on the molecular scale
Yuko Okomoto, Nagoya UniversityMolecular simulations in generalized ensemble
Monica Olvera de la Cruz, Northwestern University
Garyk Papoian, University of MarylandTowards Simulating Eukaryotic Cells from the Fundamental Physico-Chemical Principles
Michele Parrinello, ETH Zurich
John Perdew, Temple UniversityThe SCAN family of density functionals: strongly constrained, appropriately normed, and predictive
Simone Raugei, PNNLNitrogen Fixation by Nitrogenase: Insights from Multiscale Modeling
Ursula Roethlisberger, EPFL LausanneRecent Advances in First-Principles Based QM/MM Molecular Dynamics Simulations
Carme Rovira, Universidad de BarcelonaSimulation of new reaction mechanisms in carbohydrate-active enzymes
Adrien Ruzsinszky, Temple UniversitySelf-Interaction correction with Fermi-Löwdin orbitals for ground and excited states: successes and challenges
Annabella Selloni, Princeton UniversityWater-titania interfaces from ab initio deep neural network simulations
J. Ilja Siepmann, University of MinnesotaExploring the self-assembly of high-χ block oligomers and glycolipids into three-dimensional network phases
Berend Smit, EPFL LausanneThe heat capacity of metal-organic frameworks: machine learning without data
Michiel Sprik, University of CambridgeInfinity is not far enough to be out of the way
Sauro Succi, CNR ItalyFrom Softmat to Dropmat: the amazing rheology of droplet-based states of matter
Balasubramanian Sundaram, BangaloreConformer populations in liquid ethylene glycol and in its aqueous solution
Mark Tuckerman, New York UniversityOn the use of topology, machine learning, and molecular simulation approaches to predict structure, phase behavior, and hydration states of molecular crystals

Printed Programs: As part of its commitment to environmental stewardship and resource conservation, the scientific program content and poster abstracts will be only available online.