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2022 Chemistry in Solution and at Interfaces (CS ... (No replies)
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This two-day virtual workshop will cover recent developments in the application of deep learning to molecular simulation. The workshop will consist of lectures covering the theoretical foundations of the methods and hands-on tutorials for the relevant software packages (DeePMD-kit, DP-GEN, LAMMPS, and Quantum ESPRESSO). The lectures will be given by well-known researchers in the community, including Weinan E, Darrin York, Robert DiStasio, and Roberto Car. The hands-on sessions will cover the use of deep neural network models to learn the potential energy surface based on electronic density-functional theory calculations, an active learning approach to training, the learning of electronic properties based on maximally-localized Wannier functions, and training models with long range electrostatic interactions.
A maximum of 50 participants will be accepted and virtual machines will be provided. After your registration form has been reviewed and approved, you will receive an invitation to participate in the tutorials using the virtual machines.
Registration is FREE! The deadline for registration is June 29th.
Please complete the workshop registration form in the link below:
https://forms.gle/vqhBBUiPQG2KaAnq8
You can also complete the registration form and see further updates via the CSI website below:
https://ccsc.princeton.edu/upcoming-events/