Python Library for Monte Carlo Simulations with Ab Initio and Machine-Learned Interatomic Potentials.

Wilson WN, Bharadwaj VS, Rai N

DOI: 10.1021/acs.jctc.5c01148
Published: 2025 Oct 28
Container: Journal of chemical theory and computation
Publisher: Not recorded
Open access: no

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jctc.5c01148,
  title = {Python Library for Monte Carlo Simulations with Ab Initio and Machine-Learned Interatomic Potentials.},
  author = {Wilson WN and Bharadwaj VS and Rai N},
  year = {2025},
  journal = {Journal of chemical theory and computation},
  doi = {10.1021/acs.jctc.5c01148},
  url = {https://doi.org/10.1021/acs.jctc.5c01148}
}

RIS

TY  - JOUR
TI  - Python Library for Monte Carlo Simulations with Ab Initio and Machine-Learned Interatomic Potentials.
AU  - Wilson WN
AU  - Bharadwaj VS
AU  - Rai N
PY  - 2025
JO  - Journal of chemical theory and computation
DO  - 10.1021/acs.jctc.5c01148
UR  - https://doi.org/10.1021/acs.jctc.5c01148
ER  -

APA

WN, W., VS, B., & N, R. (2025). Python Library for Monte Carlo Simulations with Ab Initio and Machine-Learned Interatomic Potentials.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.5c01148

Source records

pubmed · retrieved 2026-09-25T20:55:42.210Z
europe-pmc · retrieved 2026-09-25T20:55:42.214Z