Investigating the Behavior of Diffusion Models for Accelerating Electronic Structure Calculations. - Daniel Rothchild; Andrew S. Rosen; Eric Taw; Connie Robinson; Joseph E. Gonzalez; Aditi S. Krishnapriyan (CoRR, 2023)

Higher-Order Equivariant Neural Networks for Charge Density Prediction in Materials. - Teddy Koker; Keegan Quigley; Eric Taw; Kevin Tibbetts; Lin Li (CoRR, 2023)