23 citations · 60 across the 36 of their papers we have counts for
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A Dataset of Equilibrium State Configurations of Adsorption in Zeolites
Marko Petković, Rachna Ramesh, Vlado Menkovski +1
Zeolites are crystalline nanoporous materials widely used in adsorption, separation, and catalytic processes. Molecular simulations are commonly used to predict adsorption properti…
Symmetry-Informed Graph Neural Networks for Carbon Dioxide Isotherm and Adsorption Prediction in Aluminum-Substituted Zeolites
Marko Petković, José-Manuel Vicent Luna, El\=ıza Beate Dinne +2
Accurately predicting adsorption properties in nanoporous materials using Deep Learning models remains a challenging task. This challenge becomes even more pronounced when attempti…
Graph Neural Networks for Carbon Dioxide Adsorption Prediction in Aluminium-Exchanged Zeolites
Marko Petković, José Manuel Vicent-Luna, Vlado Menkovski +1
The ability to efficiently predict adsorption properties of zeolites can be of large benefit in accelerating the design process of novel materials. The existing configuration space…