Hakan Demir

Recent advances in computational modeling of MOFs: From molecular simulations to machine learning

Hakan Demir, Hilal Daglar, Hasan Can Gülbalkan et al. · Coordination Chemistry Reviews · 2023 · 181 citations · Full text

Engineering, Machine Learning, Computational Nanostructure Modeling +18

Recent developments in first-principles force fields for molecules in nanoporous materials

Hanjun Fang, Hakan Demir, Preeti Kamakoti et al. · Journal of Materials Chemistry A · 2013 · 139 citations

Engineering, Nanoporous Material, Computational Chemistry +22

MOF Membranes for CO2 Capture: Past, Present and Future

Hakan Demir, Gokhan Onder Aksu, Hasan Can Gülbalkan et al. · Carbon Capture Science & Technology · 2022 · 126 citations · Full text

Materials Science, Catalytic Membrane, Chemical Engineering +12

Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8

Marie V. Parkes, Hakan Demir, Stephanie Teich-McGoldrick et al. · Microporous and Mesoporous Materials · 2014 · 94 citations · Full text

Molecular Kinetics, Molecular Solid, Molecular Dynamics +14

High-<i>T</i>_c Layered Ferrielectric Crystals by Coherent Spinodal Decomposition

Michael A. Susner, Alex Belianinov, Albina Y. Borisevich et al. · ACS Nano · 2015 · 93 citations · Full text

Engineering, Magnetic Resonance, Solid-state Chemistry +20