Seda Keskın

Koç University — Turkey

Chemistry · Physical Sciences

64h-index13.5kcitations237works10.12yr avg
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Research Topics

Metal-Organic Frameworks: Synthesis and Applications(189), Membrane Separation and Gas Transport(94), Covalent Organic Framework Applications(64), Carbon Dioxide Capture Technologies(40), Catalytic Processes in Materials Science(36)

Publications237 total

Leveraging molecular simulations and machine learning to assess CO2, O2, and N2 adsorption and separation performances of diverse MOF databases
Chemical Engineering Journal Advances·2025Open Access
High Throughput Screening of MOFs for Lithium-Sulfur Battery Cathodes
ECS Meeting Abstracts·2025
Molecular Modeling-Based Machine Learning for Accurate Prediction of Gas Diffusivity and Permeability in Metal–Organic Frameworks
ACS Materials Au·2025Open Access
Data‐Driven Design and Discovery of Metal–Organic Framework/Polymer Mixed Matrix Membranes
Macromolecular Materials and Engineering·2025Open Access
Investigating the Effects of Framework Flexibility on Water Adsorption in the Metal–Organic Framework NbOFFIVE-1-Ni via Molecular Modeling
Diffusion fundamentals.·2025Open Access
The transformative role of machine learning in advancing MOF membranes for gas separations
Chemical Physics Reviews·2025· 1 citedOpen Access
Modeling gas transport in organic molecular sieve membranes
AIChE Journal·2025
Modeling CO2 adsorption in flexible MOFs with open metal sites via fragment-based neural network potentials
The Journal of Chemical Physics·2025· 5 cited
Integrating Molecular Simulations with Machine Learning to Discover Selective MOFs for CH<sub>4</sub>/H<sub>2</sub> Separation
The Journal of Physical Chemistry C·2025· 1 citedOpen Access
Artificial Intelligence Paradigms for Next-Generation Metal–Organic Framework Research
Journal of the American Chemical Society·2025· 16 citedOpen Access
Calcium Alginate Aerogel-MIL160 Nanocomposites for CO <sub>2</sub> Removal
Langmuir·2025· 3 citedOpen Access
Modeling CO2 Adsorption in Flexible MOFs with Open Metal Sites via Fragment-Based Neural Network Potentials
2025· 1 citedOpen Access
Toward rational design of ionic liquid/Metal-Organic Framework composites for efficient gas separations: Combining molecular modeling, machine learning, and experiments to move beyond trial-and-error
Coordination Chemistry Reviews·2025· 7 citedOpen Access
The COF Space: Materials Features, Gas Adsorption, and Separation Performances Assessed by Machine Learning
ACS Materials Letters·2025· 24 citedOpen Access
Selective separation of acetylene from ethylene using mixed matrix membranes with MIL-100(Fe) as a filler
Journal of Membrane Science·2025· 5 citedOpen Access
Assessing CO2 separation performances of IL/ZIF-8 composites using molecular features of ILs
Carbon Capture Science & Technology·2025· 3 citedOpen Access
Biomedical Applications of Metal–Organic Frameworks Revisited
Industrial & Engineering Chemistry Research·2025· 37 citedOpen Access
Rational design of lanthanide-based metal–organic frameworks for CO<sub>2</sub> capture using computational modeling
Materials Advances·2025· 1 citedOpen Access
Assessment of fine-tuned large language models for real-world chemistry and material science applications
Chemical Science·2024· 38 citedOpen Access
Publisher Correction: Understanding CO adsorption in MOFs combining atomic simulations and machine learning
Scientific Reports·2024Open Access
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Frequent Co-authors

Çiğdem Altıntaş(12), Alper Uzun(11), David S. Sholl(10), İlknur Eruçar(9), Hilal Daglar(8), Gökay Avcı(5), Hasan Can Gülbalkan(4), Sadiye Velioğlu(4), Muhammad Zeeshan(4), Gokhan Onder Aksu(3), Ömer Faruk Altundal(3), Jinchen Liu(3), J. Karl Johnson(3), F. Pelin Kinik(3), Ayda Nemati Vesali Azar(3), Katsumi Kaneko(2), Hakan Demir(2), Burak Koyutürk(2), Gamze Yilmaz(2), Defne Kayrak‐Talay(1)