Oluş Özbek Research Group

We use density functional theory, molecular dynamics, and multiscale modeling to investigate catalytic and molecular systems at the atomic scale.

Our research focuses on heterogeneous catalysis, sustainable methanol chemistry, hydrogen storage materials, and molecular modeling applications in drug design and delivery systems.

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Research Themes

Computational Catalysis Mechanistic modeling of heterogeneous catalytic reactions using first-principles methods.	Methanol Chemistry CO/CO₂ hydrogenation, methane-to-methanol conversion, and methanol decomposition on catalytic surfaces.
Materials and Energy Modeling of hydrogen storage materials, zeolites, MOFs, batteries, and fuel-cell-related systems.	Molecular Modeling for Health Computational studies supporting drug design, drug delivery, and molecular interaction analysis.

Son güncelleme: 03 Ağustos 2026

Oluş Özbek Research Group

Research Themes

Computational Catalysis

Methanol Chemistry

Materials and Energy

Molecular Modeling for Health