36 citations · 83 across the 10 of their papers we have counts for
Showing 2023Show all
2 papers · 1 filter
physics.chem-ph2023★ 20 cited
Nonlocal Machine-Learned Exchange Functional for Molecules and Solids
Kyle Bystrom, Boris Kozinsky
The design of better exchange-correlation functionals for Density Functional Theory (DFT) is a central challenge of modern electronic structure theory. However, current development…
cond-mat.mtrl-sci2023★ 2 cited
Complexity of Many-Body Interactions in Transition Metals via Machine-Learned Force Fields from the TM23 Data Set
Cameron J. Owen, Steven B. Torrisi, Yu Xie +6
This work examines challenges associated with the accuracy of machine-learned force fields (MLFFs) for bulk solid and liquid phases of d-block elements. In exhaustive detail, we co…