Wave function accuracy beyond the mode in variation Monte Carlo

Jonathan Weare
March 27, 2024

A Kaczmarz-inspired approach to accelerate the optimization of neural network wavefunctions

Nilin Abrahamsen
March 27, 2024

Physical constraints in machine learning models of electronic and atomic interactions

Boris Kozinsky
March 26, 2024

Machine Learning Density Functionals

Kieron Burke
March 26, 2024

Automated Multireference Electronic Structure Theories

Laura Gagliardi
March 26, 2024

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
March 25, 2024

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

David Mazziotti
March 25, 2024