The workshop will take place on July 11-14, 2023 in the Department of Chemistry at Princeton University, Princeton, New Jersey. The event will be fully in person, and is targeted at PhD students and young postdocs eager to learn more about deep modeling for molecular simulation. During the four days, we will have lectures in the mornings and hands-on sessions in the afternoons.

The lectures will be given by well-known researchers in the field of molecular simulation, such as, Mark Tuckerman (NYU), David Ceperley (University of Illinois), Renata Wentzcovitch (Columbia), David Vanderbilt (Rutgers University), Robert DiStastio (Cornell), Omar Valsson (University of North Texas), Linfeng Zhang (AI for Science Institute, Beijing ), Roberto Car (Princeton), and others.

The hands-on sessions will cover state-of-the-art topics in the application of deep learning to molecular simulations including electronic structure calculations (Quantum ESPRESSO), learning of the ab initio potential energy surface (DeePMD-kit), learning of electronic Wannier centers (Wannier90 + DeePMD-kit), training models with long-range interactions (DeePMD-kit), and enhanced sampling methods (Plumed).

You can watch videos of the virtual workshop we organized in 2022 on YouTube and access last year's tutorials on GitHub.

The cost of the event, including coffee breaks, lunch, computer time, and lodging, will be around $500. We are planning to have a social dinner and a poster session. Virtual machines with GPUs will be provided with pre-installed software. We are planning to accept only around 35 participants, and therefore the selection may be competitive.

PLEASE APPLY USING THIS LINK!: https://forms.gle/HbrcjnqgmFxgZKS89

The deadline for receiving applications is April 15th.

You can find more information on the workshop website: https://csi2023.princeton.edu/

We are looking forward to seeing many of you in Princeton for four days of learning and fun!

The organizers - Pablo Piaggi, Clarice Gethers, and Roberto Car (Princeton University)