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The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|July 23, 2025
Integrating Molecular Simulations with Machine Learning to Discover Selective MOFs for CH<sub>4</sub>/H<sub>2</sub> SeparationPelin Sezgin, Seda KeskinACS Materials Au|January 19, 2026
Molecular Modeling-Based Machine Learning for Accurate Prediction of Gas Diffusivity and Permeability in Metal-Organic FrameworksPelin Sezgin, Feride Neva Yüngül, Beste Naz Karaca, et al.Industrial & Engineering Chemistry Research|February 5, 2025
Biomedical Applications of Metal-Organic Frameworks RevisitedPelin Sezgin, Ezgi Gulcay-Ozcan, Marija Vučkovski, et al.Industrial & Engineering Chemistry Research|March 24, 2020
Unlocking the Effect of H<sub>2</sub>O on CO<sub>2</sub> Separation Performance of Promising MOFs Using Atomically Detailed SimulationsIlknur Erucar, Seda KeskinThe Journal of Physical Chemistry. C, Nanomaterials and Interfaces|June 24, 2022
Multi-Level Computational Screening of <i>in Silico</i> Designed MOFs for Efficient SO<sub>2</sub> CaptureHakan Demir, Seda KeskinMolecular Systems Design & Engineering|August 12, 2021
Zr-MOFs for CF<sub>4</sub>/CH<sub>4</sub>, CH<sub>4</sub>/H<sub>2</sub>, and CH<sub>4</sub>/N<sub>2</sub> separation: towards the goal of discovering stable and effective adsorbentsHakan Demir, Seda KeskinMolecular Systems Design & Engineering|December 23, 2022
Computational investigation of multifunctional MOFs for adsorption and membrane-based separation of CF<sub>4</sub>/CH<sub>4</sub>, CH<sub>4</sub>/H<sub>2</sub>, CH<sub>4</sub>/N<sub>2</sub>, and N<sub>2</sub>/H<sub>2</sub> mixturesHakan Demir, Seda KeskinJournal of Chemical Information and Modeling|February 3, 2026
Transforming MOF Modeling with Machine-Learned Potentials: Progress and PerspectivesOmer Tayfuroglu, Seda KeskinRSC Advances|January 9, 2018
Molecular simulations of MOF membranes for separation of ethane/ethene and ethane/methane mixturesCigdem Altintas, Seda KeskinJournal of Materials Chemistry. B|April 9, 2020
Computational investigation of metal organic frameworks for storage and delivery of anticancer drugsIlknur Erucar, Seda KeskinPageof 12