Paired-Isotopologue Hessian Benchmarking for Second-Order Validation of Machine-Learned Water Potentials.

Wen Y, Wen X, Ni B, Zhao W, Li S, Qu W, Wang Z, Li Y, Wei H

DOI: 10.1021/acs.jctc.6c01692
Published: 2026 Nov 10
Container: Journal of chemical theory and computation
Publisher: Not recorded
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jctc.6c01692,
  title = {Paired-Isotopologue Hessian Benchmarking for Second-Order Validation of Machine-Learned Water Potentials.},
  author = {Wen Y and Wen X and Ni B and Zhao W and Li S and Qu W and Wang Z and Li Y and Wei H},
  year = {2026},
  journal = {Journal of chemical theory and computation},
  doi = {10.1021/acs.jctc.6c01692},
  url = {https://doi.org/10.1021/acs.jctc.6c01692}
}

RIS

TY  - JOUR
TI  - Paired-Isotopologue Hessian Benchmarking for Second-Order Validation of Machine-Learned Water Potentials.
AU  - Wen Y
AU  - Wen X
AU  - Ni B
AU  - Zhao W
AU  - Li S
AU  - Qu W
AU  - Wang Z
AU  - Li Y
AU  - Wei H
PY  - 2026
JO  - Journal of chemical theory and computation
DO  - 10.1021/acs.jctc.6c01692
UR  - https://doi.org/10.1021/acs.jctc.6c01692
ER  -

APA

Y, W., X, W., B, N., W, Z., S, L., W, Q., Z, W., Y, L., & H, W. (2026). Paired-Isotopologue Hessian Benchmarking for Second-Order Validation of Machine-Learned Water Potentials.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.6c01692

Source records

pubmed · retrieved 2026-11-10T18:04:35.479Z