Machine learning and density functional theory
Computational Physics
2022-05-24 v2 Strongly Correlated Electrons
Chemical Physics
Abstract
Over the past decade machine learning has made significant advances in approximating density functionals, but whether this signals the end of human-designed functionals remains to be seen. Ryan Pederson, Bhupalee Kalita and Kieron Burke discuss the rise of machine learning for functional design.
Cite
@article{arxiv.2205.01591,
title = {Machine learning and density functional theory},
author = {Ryan Pederson and Bhupalee Kalita and Kieron Burke},
journal= {arXiv preprint arXiv:2205.01591},
year = {2022}
}