Gas adsorption meets geometric deep learning: points, set and match

Abstract Thanks to their unique properties such as ultra high porosity and surface area, metal-organic frameworks (MOFs) are highly regarded materials for gas adsorption applications. However, their combinatorial nature results in a vast chemical space, precluding its exploration with traditional te...

Full description

Saved in:
Bibliographic Details
Main Authors: Antonios P. Sarikas, Konstantinos Gkagkas, George E. Froudakis
Format: Article
Language:English
Published: Nature Portfolio 2024-11-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-024-76319-8
Tags: Add Tag
No Tags, Be the first to tag this record!