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Authors
Marvin Poul (0000-0002-6029-8748), Jörg Neugebauer (0000-0002-7903-2472)
Citation
Poul et al., (2026). ASSYST: A Python package for automated generation of training data for machine learning interatomic potentials. Journal of Open Source Software, 11(127), 11133, https://doi.org/10.21105/joss.11133
@article{Poul2026,
doi = {10.21105/joss.11133},
url = {https://doi.org/10.21105/joss.11133},
year = {2026},
publisher = {The Open Journal},
volume = {11},
number = {127},
pages = {11133},
author = {Poul, Marvin and Neugebauer, Jörg},
title = {ASSYST: A Python package for automated generation of training data for machine learning interatomic potentials},
journal = {Journal of Open Source Software}
}
Tags
Machine Learning Potential Machine Learning Interatomic Potentials Physics Materials Science Atomistics Simulation
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