3 papers
cond-mat.mtrl-sci2026
Denoising Diffusion Monte Carlo Electron Densities with Physically Informed Variance Stabilization: From Fourier Filters to 3D UNETs
Kenneth O. Berard, Brenda Rubenstein, Jaron T. Krogel
Obtaining accurate electron densities is important for the fundamental description of molecular and condensed matter systems, as well as for the development of next-generation dens…
cond-mat.mtrl-sci2025
Toward improved property prediction of 2D materials using many-body quantum Monte Carlo methods
Daniel Wines, Jeonghwan Ahn, Anouar Benali +10
The field of two-dimensional (2D) materials has grown dramatically in the last two decades. 2D materials can be utilized for a variety of next-generation optoelectronic, spintronic…
cond-mat.str-el2024
Identifying Band Inversions in Topological Materials Using Diffusion Monte Carlo
Annette Lopez, Cody A. Melton, Jeonghwan Ahn +2
Topological insulators are characterized by insulating bulk states and robust metallic surface states. Band inversion is a hallmark of topological insulators: at time-reversal inva…