NB: The panels for the posters are 120 cm x 80 cm Poster Sessions (PDF file)
Invited Speaker Talks:
| Speaker | Title |
| Peter Bolhuis, University of Amsterdam | Improving molecular models with path reweighting methods that constrain dynamical observables |
| Paolo Carloni, Forschungszentrum Julich | |
| David Ceperley, University of Illinois Urbana | MD of dense H2 informed by QMC |
| Giovanni Ciccotti, Sapienza University Rome | Continuum 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 Cambridge | Computer simulation and Boltzmann’s unfinished business |
| Hardy Gross, Max Planck Institute | What’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 Italy | Topologically-complex self-assemblies |
| Agostino Migliore, University of Padova | |
| Marcus Müller, G.A. Universität Göttingen | Process-directed self-assembly on the molecular scale |
| Yuko Okomoto, Nagoya University | Molecular simulations in generalized ensemble |
| Monica Olvera de la Cruz, Northwestern University | |
| Garyk Papoian, University of Maryland | Towards Simulating Eukaryotic Cells from the Fundamental Physico-Chemical Principles |
| Michele Parrinello, ETH Zurich | |
| John Perdew, Temple University | The SCAN family of density functionals: strongly constrained, appropriately normed, and predictive |
| Simone Raugei, PNNL | Nitrogen Fixation by Nitrogenase: Insights from Multiscale Modeling |
| Ursula Roethlisberger, EPFL Lausanne | Recent Advances in First-Principles Based QM/MM Molecular Dynamics Simulations |
| Carme Rovira, Universidad de Barcelona | Simulation of new reaction mechanisms in carbohydrate-active enzymes |
| Adrien Ruzsinszky, Temple University | Self-Interaction correction with Fermi-Löwdin orbitals for ground and excited states: successes and challenges |
| Annabella Selloni, Princeton University | Water-titania interfaces from ab initio deep neural network simulations |
| J. Ilja Siepmann, University of Minnesota | Exploring the self-assembly of high-χ block oligomers and glycolipids into three-dimensional network phases |
| Berend Smit, EPFL Lausanne | The heat capacity of metal-organic frameworks: machine learning without data |
| Michiel Sprik, University of Cambridge | Infinity is not far enough to be out of the way |
| Sauro Succi, CNR Italy | From Softmat to Dropmat: the amazing rheology of droplet-based states of matter |
| Balasubramanian Sundaram, Bangalore | Conformer populations in liquid ethylene glycol and in its aqueous solution |
| Mark Tuckerman, New York University | On 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.