Mustafa Kurban
Materials Science · Indiana University
Publications
95
Citations
1,488
Est. group size
—
Recurring co-author estimate
Active years
17
Publishing since 2010
Mustafa Kurban studies materials at the atomic and nanoscale using computer simulations and machine learning. The work combines quantum chemistry calculations (such as density functional theory) with data-driven and AI methods to predict and design materials for applications like hydrogen storage, gas sensing, energy storage, and organic electronics. Recent projects also build benchmark datasets to test AI models on materials and chemistry problems.
Publication activity has been growing, rising from single digits in the late 2010s to a peak of around 19 papers in 2025, with an average of about 10 per year over the last five years.
Generated by claude-opus-4-8 from public bibliographic data · Jul 11, 2026
- Hydrogen adsorption on Ti metalloporphyrin: From maximum loading to reversible storage
Gas Science and Engineering · 2026
- T2-MgAl2C2 monolayer: First-principles insights into its structural, elastic, and optoelectronic properties
Micro and Nanostructures · 2026
- Small-gas recognition by a β-Pyrrolic nitro-functionalized porphyrin: Energetics, orbital response, and noncovalent interactions
Chemical Physics · 2026
- QuantumCanvas: A Multimodal Benchmark for Learning Two-Body Quantum Interactions
Open MIND · 2026
- QuantumCanvas: A Multimodal Benchmark for Learning Two-Body Quantum Interactions
Zenodo (CERN European Organization for Nuclear Research) · 2026
- SCALAR: Cross-Scale Benchmark of Nanoparticle Structures for Quantifying Hallucination, Consistency, and Reasoning in Materials Foundation Models
Open MIND · 2026
- SCALAR: Cross-Scale Benchmark of Nanoparticle Structures for Quantifying Hallucination, Consistency, and Reasoning in Materials Foundation Models
Zenodo (CERN European Organization for Nuclear Research) · 2026
- Explainable machine learning reveals orbital design rules for reversible H2 adsorption on single-atom-doped TiO2 nanoparticles
Materials & Design · 2026
- Hydrogen storage in TiFe nanoparticles: void-limited saturation and metal-selective charge transfer during sequential loading
International Journal of Hydrogen Energy · 2026
- Drug delivery potential of γ-graphyne, 6,6,12-graphyne and γ-graphdiyne for 5-Fluorouracil: insights from DFT calculations
Composite Interfaces · 2025
- Eco-friendly layered carbide synthesis from renewable precursors for energy storage applications
iScience · 2025
- Sustainable design of green-functionalized -conjugated BTBF-DPA derivatives for high-mobility hole transport
Tetrahedron · 2025
- Asymmetric anthracene derivatives as electron transport materials for high performance OLEDs
Journal of Photochemistry and Photobiology A Chemistry · 2025
- A Novel Pyridopyrimidine Derivative as a Potential Breast Cancer Agent: DFT, Docking, MD Simulation, and Cytotoxic Studies
Chemistry & Biodiversity · 2025
- Systematic evaluation and rational design of metalloporphyrin-based humidity sensors: Effects of central metal, solvent, and water coordination
Journal of Molecular Liquids · 2025
- Materials Today Communications×6
- arXiv (Cornell University)×5
- Computational Materials Science×4
- Journal of Molecular Liquids×3
- Chemical Physics×3
This profile was generated automatically from public scholarly data (OpenAlex). Group size and activity levels are estimates derived from co-authorship patterns.
Last updated Jul 11, 2026.
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