Machine Learning the Exchange And Correlation Functional In DFT

Marivi Fernández-Serra
March 26, 2024

Scalable Machine Learning for Predicting the Electronic Structure of Matter

Attila Cangi
March 25, 2024

Big Data in Nanoporous Materials Design: Science beyond Understanding

Berend Smit
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Reducing the Quantum Many-Electron Problem to Two Electrons with Machine Learning

David Mazziotti
March 25, 2024

Adaptive Diagonal Basis Sets for Electronic Structure

Michael Lindsey
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Recent Advances in the Deep Potential Method for Molecular Simulation

Roberto Car
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A tutorial in reinforcement learning

Eugene Vinitsky
March 15, 2024

Bayesian optimization for real-world experimental design

Yuxin Chen
March 15, 2024

Generative Models for Molecules and Materials: Fundamentals, Opportunities, and Open Problems

Grant Rotskoff
March 14, 2024