Machine learning interatomic potentials at the centennial crossroads of quantum mechanics
Bhupalee Kalita, Hatice Gokcan, Olexandr Isayev
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Machine learning interatomic potentials at the centennial crossroads of quantum mechanics.
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@article{Kalita2025,
author = {Kalita, Bhupalee and Gokcan, Hatice and Isayev, Olexandr},
title = {Machine learning interatomic potentials at the centennial crossroads of quantum mechanics},
year = {2025},
journal = {Nature Computational Science},
volume = {5},
number = {12},
pages = {1120--1132},
doi = {10.1038/s43588-025-00930-6},
url = {http://dx.doi.org/10.1038/s43588-025-00930-6},
publisher = {Springer Science and Business Media LLC},
keywords = {machine learning},
researchAreas = {ml-potentials},
highlight = {Machine learning interatomic potentials at the centennial crossroads of quantum mechanics.}
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