A Large Scale Molecular Hessian Database for Optimizing Reactive Machine Learning Interatomic Potentials.

Cui T, Han Y, Jia H, Duan C, Zhao Q

DOI: 10.1038/s41597-025-06350-5
Published: 2025 Dec 4
Container: Scientific data
Publisher: Not recorded
Open access: yes

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Cite this work

BibTeX

@article{allodium:10.1038/s41597-025-06350-5,
  title = {A Large Scale Molecular Hessian Database for Optimizing Reactive Machine Learning Interatomic Potentials.},
  author = {Cui T and Han Y and Jia H and Duan C and Zhao Q},
  year = {2025},
  journal = {Scientific data},
  doi = {10.1038/s41597-025-06350-5},
  url = {https://doi.org/10.1038/s41597-025-06350-5}
}

RIS

TY  - JOUR
TI  - A Large Scale Molecular Hessian Database for Optimizing Reactive Machine Learning Interatomic Potentials.
AU  - Cui T
AU  - Han Y
AU  - Jia H
AU  - Duan C
AU  - Zhao Q
PY  - 2025
JO  - Scientific data
DO  - 10.1038/s41597-025-06350-5
UR  - https://doi.org/10.1038/s41597-025-06350-5
ER  -

APA

T, C., Y, H., H, J., C, D., & Q, Z. (2025). A Large Scale Molecular Hessian Database for Optimizing Reactive Machine Learning Interatomic Potentials.. Scientific data. https://doi.org/10.1038/s41597-025-06350-5

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pubmed · retrieved 2026-09-25T23:05:59.214Z