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Deep Learning for Molecular Physics

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Solving classical and quantum physics many-body systems are amongst the hardest problems in the natural sciences, but also of fundamental importance for applications such as material and drug design. In this talk, I will give a an overview of fundamental physics problems at multiple time- and lengthscales and describe deep learning methods to address them: 1) solving the quantum-chemical electronic Schrödinger equation with deep variational Monte Carlo, 2) learning to coarse-grain many-body systems, and 3) sampling equilibrium states of classical many-body systems with generative learning.

This talk is part of the Theory - Chemistry Research Interest Group series.

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