Published December 31, 2024
| Version v1
Dataset
Open
Supplementary data for Machine Learning Approaches for Developing Potential Surfaces: Applications to OH$^-$(H$_2$O)$_n$ ($n=1-3$) Complexes
Creators
-
1.
University of Washington
-
2.
California Institute of Technology
- 3. Microsoft Research AI for Science
Description
This repository includes the codes and results for the manuscript: Machine Learning Approaches for Developing Potential Surfaces: Applications to OH-(H2O)n (n=1-3) Complexes
The related GitHub repo is https://github.com/sherrylixuecheng/ionic_water_mobml-nn_potential
Files
dmc_data.zip
Files
(1.8 GB)
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md5:142f17e48c91267973ec1a091f79f745
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md5:a005806e4aaeacabc3351c8ff9286671
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Additional details
Related works
- Is supplement to
- Preprint: 10.26434/chemrxiv-2024-5c808-v2 (DOI)