Gas adsorption meets deep learning: voxelizing the potential energy surface of metal-organic frameworks
Abstract Intrinsic properties of metal-organic frameworks (MOFs), such as their ultra porosity and high surface area, deem them promising solutions for problems involving gas adsorption. Nevertheless, due to their combinatorial nature, a huge number of structures is feasible which renders cumbersome...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2024-01-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-023-50309-8 |