Predicting Solvation Free Energies of Molecules and Ions via First-Principles and Machine-Learning Molecular Dynamics.

Yu J, Li SH, Pan D

DOI: 10.1021/acs.jctc.6c00692
Published: 2026 Jul 14
Container: Journal of chemical theory and computation
Publisher: Not recorded
Open access: yes

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jctc.6c00692,
  title = {Predicting Solvation Free Energies of Molecules and Ions via First-Principles and Machine-Learning Molecular Dynamics.},
  author = {Yu J and Li SH and Pan D},
  year = {2026},
  journal = {Journal of chemical theory and computation},
  doi = {10.1021/acs.jctc.6c00692},
  url = {https://doi.org/10.1021/acs.jctc.6c00692}
}

RIS

TY  - JOUR
TI  - Predicting Solvation Free Energies of Molecules and Ions via First-Principles and Machine-Learning Molecular Dynamics.
AU  - Yu J
AU  - Li SH
AU  - Pan D
PY  - 2026
JO  - Journal of chemical theory and computation
DO  - 10.1021/acs.jctc.6c00692
UR  - https://doi.org/10.1021/acs.jctc.6c00692
ER  -

APA

J, Y., SH, L., & D, P. (2026). Predicting Solvation Free Energies of Molecules and Ions via First-Principles and Machine-Learning Molecular Dynamics.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.6c00692

Source records

pubmed · retrieved 2026-09-25T06:11:28.227Z