Machine learned force-fields for an Ab-initio quality description of metal-organic frameworks
Abstract Metal-organic frameworks (MOFs) are an incredibly diverse group of highly porous hybrid materials, which are interesting for a wide range of possible applications. For a meaningful theoretical description of many of their properties accurate and computationally highly efficient methods are...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2024-01-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-024-01205-w |