Metatensor and Metatomic: Foundational Libraries for Interoperable Atomistic Machine Learning
Filippo Bigi, Joseph W. Abbott, Philip Loche, Arslan Mazitov, Davide Tisi, Marcel F. Langer, Alexander Goscinski, Paolo Pegolo, Sanggyu Chong, Rohit Goswami, Pol Febrer, Sofiia Chorna, Matthias Kellner, Michele Ceriotti, Guillaume Fraux
@article{bigiMetatensorMetatomicFoundational2025,
mypdf = {https://arxiv.org/abs/2508.15704},
title = {Metatensor and Metatomic: Foundational Libraries for Interoperable Atomistic Machine Learning},
shorttitle = {Metatensor and Metatomic},
author = {Bigi, Filippo and Abbott, Joseph W. and Loche, Philip and Mazitov, Arslan and Tisi, Davide and Langer, Marcel F. and Goscinski, Alexander and Pegolo, Paolo and Chong, Sanggyu and Goswami, Rohit and Febrer, Pol and Chorna, Sofiia and Kellner, Matthias and Ceriotti, Michele and Fraux, Guillaume},
year = {2026},
month = {feb},
journal = {The Journal of Chemical Physics},
volume = {164},
number = {6},
doi = {10.1063/5.0304911},
issn = {1089-7690},
eprint = {2508.15704},
eprinttype = {arxiv},
archiveprefix = {arXiv},
urldate = {2026-02-01},
langid = {english},
keywords = {journal, selected},
}