Program
8:00 AM
Breakfast
8:50 AM
Welcome and Introduction
9:00 AM
Talk 1
Doug Tobias
Simulation studies of protein interactions and organization in crowded solutions
10:00 AM
Talk 3
Francesco Paesani
Chemical accuracy from the gas to the condensed phase through many-body molecular dynamics,
10:30 AM
Coffee
11:00 AM
Talk 4
Bryan Wong
Real-Time Electron Dynamics of Large Complex Systems from a Density Functional Tight Binding Approach,
11:30 AM
Talk 5
Andrew Petit
Shake, Rattle, and Surface Hop: Using Theory to Better Understand Spectroscopy and Dynamics
12:00 PM
Lunch and poster session
3:30 PM
Talk 7
Anna Krylov
Extending Quantum Chemistry of Bound States to Electronic Resonances
4:00 PM
Coffee
4:30 PM
Talk 9
Katja Lindenberg
Synchronization of coupled noisy oscillators: Coarse graining from continuous to discrete phases
5:00 PM
Talk 10
Tyler Luchko
Understanding the solvent environment of biomolecules using 3D-RISM
5:30 PM
Talk 11
Anastassia Alexandrova
Surface-Supported Cluster Catalysts: Fluxionality, Statistical Nature, and Design
6:00 PM
Conclusions and fond farewell