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MISPR: an open-source package for high-throughput multiscale molecular simulations
Computational tools provide a unique opportunity to study and design optimal materials by enhancing our ability to comprehend the connections between their atomistic structure and functional properties. However, designing materials with tailored functionalities is complicated due to the necessity to...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9492707/ https://www.ncbi.nlm.nih.gov/pubmed/36130978 http://dx.doi.org/10.1038/s41598-022-20009-w |