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

Antonios P. Sarikas, Konstantinos Gkagkas, George E. Froudakis, in: Scientific Reports. 10.1038/s41598-024-76319-8. Open Access.

MOFSynth: A Computational Tool toward Synthetic Likelihood Predictions of MOFs,

Charalampos G. Livas, Pantelis N. Trikalitis, George E. Froudakis, in: Journal of Chemical Information and Modeling. 10.1021/acs.jcim.4c01298. Open Access.

Comparison of machine learning approaches for the identification of top-performing materials for hydrogen storage,

Antonios P. Sarikas, George S. Fanourgakis, Konstantinos Gkagkas, George E. Froudakis, in: Sustainable Chemistry for the Environment. 10.1016/j.scenv.2023.100056. Open Access.

Expanding the Reticular Chemistry Building Block Library toward Highly Connected Nets: Ultraporous MOFs Based on 18-Connected Ternary, Trigonal Prismatic Superpolyhedra,

Konstantinos G. Froudas, Maria Vassaki, Konstantinos Papadopoulos, Constantinos Tsangarakis, Xu Chen, William Shepard, David Fairen-Jimenez, Christos Tampaxis, Georgia Charalambopoulou, Theodore A. Steriotis, Pantelis N. Trikalitis in: Journal of the American Chemical Society. 10.1021/jacs.3c12679. Open Access.

Gas adsorption meets deep learning: voxelizing the potential energy surface of metal-organic frameworks,

Antonios P. Sarikas, Konstantinos Gkagkas, George E. Froudakis in: Scientific Reports. 10.1038/s41598-023-50309-8. Open Access.

Aspects of Gas Storage: Confined Geometry Effects on the High-Pressure Adsorption Behavior of Supercritical Fluids,

Simon Eder, Patrick Guggenberger, Tatiana Priamushko, Freddy Kleitz, Matthias Thommes, in: Langmuir. 10.1021/acs.langmuir.3c02841. Open Access.