146 citations · 146 across the 3 of their papers we have counts for
3 papers
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…
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…
QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion Quantum Monte Carlo
P. R. C. Kent, Abdulgani Annaberdiyev, Anouar Benali +21
We review recent advances in the capabilities of the open source ab initio Quantum Monte Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency and rep…