Person
Özge Kadioglu
This person is no longer with EPFL
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Related publications (2)
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A data-science approach to predict the heat capacity of nanoporous materials
Berend Smit, Susana Garcia Lopez, Elias Moubarak, Balázs Álmos Novotny, Seyedmohamad Moosavi, Daniele Ongari, Mehrdad Asgari, Andres Adolfo Ortega Guerrero, Özge Kadioglu
The heat capacity of a material is a fundamental property of great practical importance. For example, in a carbon capture process, the heat required to regenerate a solid sorbent is directly related to the heat capacity of the material. However, for most m ...
NATURE PORTFOLIO2022Evaluating Charge Equilibration Methods To Generate Electrostatic Fields in Nanoporous Materials
Berend Smit, Daniele Ongari, Peter George Boyd, Amber Kashan Mace, Özge Kadioglu
Charge equilibration (Qeq) methods can estimate the electrostatic potential of molecules and periodic frameworks by assigning point charges to each atom, using only a small fraction of the resources needed to compute density functional (DFT)-derived charge ...
2019