no code implementations • 4 Dec 2021 • Bhupalee Kalita, Kieron Burke
Machine learning has now become an integral part of research and innovation.
no code implementations • 28 Oct 2021 • Bhupalee Kalita, Ryan Pederson, Jielun Chen, Li Li, Kieron Burke
Kohn-Sham regularizer (KSR) is a differentiable machine learning approach to finding the exchange-correlation functional in Kohn-Sham density functional theory (DFT) that works for strongly correlated systems.