Modeling Equilibrium Solid-liquid Interfaces under Effective Constant Chemical Potential using Machine Learning Interatomic Potentials
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2025
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| author | Soyemi, Ademola Baral, Khagendra Szilvasi, Tibor |
| author_facet | Soyemi, Ademola Baral, Khagendra Szilvasi, Tibor |
| contents | <p>Training configurations and NequIP input files used in the development of the potential described in the related publication. In addition, we provide pseudo-code for implementing the iCuMD approach.</p> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_15558306 |
| institution | Zenodo |
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| publishDate | 2025 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Modeling Equilibrium Solid-liquid Interfaces under Effective Constant Chemical Potential using Machine Learning Interatomic Potentials Soyemi, Ademola Baral, Khagendra Szilvasi, Tibor <p>Training configurations and NequIP input files used in the development of the potential described in the related publication. In addition, we provide pseudo-code for implementing the iCuMD approach.</p> |
| title | Modeling Equilibrium Solid-liquid Interfaces under Effective Constant Chemical Potential using Machine Learning Interatomic Potentials |
| url | https://doi.org/10.5281/zenodo.15558306 |