2 papers
cond-mat.str-el2026
Assessing Orbital Optimization in Variational and Diffusion Monte Carlo
Cody A. Melton, Jaron T. Krogel
In this work, we investigate the fidelity of orbital optimization in variational Monte Carlo to improve diffusion Monte Carlo results on correlated magnetic systems, using CrSBr as…
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…