Gaussian Approximation Potential for C-doped Boron Nitride
This is an GAP potential for amorphous boron nitride samples. It is trained based on datasets generated with ab-initio molecular dynamics and DFT. It can be used with pair_style quip command.
| Autores: | , , , , |
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| Tipo de recurso: | conjunto de datos |
| Fecha de publicación: | 2023 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/309106 |
| Acceso en línea: | http://hdl.handle.net/10261/309106 |
| Access Level: | acceso abierto |
| Palabra clave: | aBNC GAP Gaussian Aproximation Potential Molecular Dynamics |
| Sumario: | This is an GAP potential for amorphous boron nitride samples. It is trained based on datasets generated with ab-initio molecular dynamics and DFT. It can be used with pair_style quip command. |
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