Mustafa Kurban

Ankara University — Turkey

Engineering · Physical Sciences

25h-index1.7kcitations99works7.72yr avg
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Research Topics

Organic Electronics and Photovoltaics(16), Quantum Dots Synthesis And Properties(14), Machine Learning in Materials Science(13), Chalcogenide Semiconductor Thin Films(12), Nonlinear Optical Materials Research(12)

Publications99 total

Crystallographic site-dependent spintronic properties of CoMnTe/CdS(001) interfaces: A first-principles study
Computational and Theoretical Chemistry·2025
QuantumCanvas: A Multimodal Benchmark for Visual Learning of Atomic Interactions
arXiv (Cornell University)·2025Open Access
Sustainable design of green-functionalized -conjugated BTBF-DPA derivatives for high-mobility hole transport
Tetrahedron·2025· 4 cited
A Novel Pyridopyrimidine Derivative as a Potential Breast Cancer Agent: DFT, Docking, MD Simulation, and Cytotoxic Studies
Chemistry & Biodiversity·2025· 1 cited
Systematic evaluation and rational design of metalloporphyrin-based humidity sensors: Effects of central metal, solvent, and water coordination
Journal of Molecular Liquids·2025· 1 cited
Accelerating density of states prediction in Zn-doped MgO nanoparticles via kernel-optimized weighted k-NN
Scientific Reports·2025· 9 citedOpen Access
CrysMTM: a multiphase, temperature-resolved, multimodal dataset for crystalline materials
Machine Learning Science and Technology·2025· 1 citedOpen Access
Enabling Ease of Access to Quantum Chemistry with Transformer-Based Text Encoding and Physics-Informed Multilayer Perceptron
Physica Scripta·2025· 1 cited
Stress-Testing Multimodal Foundation Models for Crystallographic Reasoning
arXiv (Cornell University)·2025Open Access
Asymmetric anthracene derivatives as electron transport materials for high performance OLEDs
Journal of Photochemistry and Photobiology A Chemistry·2025· 4 cited
Beyond Atomic Geometry Representations in Materials Science: A Human-in-the-Loop Multimodal Framework
arXiv (Cornell University)·2025Open Access
xChemAgents: Agentic AI for Explainable Quantum Chemistry
arXiv (Cornell University)·2025Open Access
Instance-Based Learning-Driven Density of States Analysis in Functionalized Fullerene Derivatives for Optimizing Organic Photovoltaics
2025
Predicting Optical Bandgaps in C<sub>60</sub> and Functionalized Derivatives from Limited Data for Renewable Energy Applications
2025
Data-Efficient Hydrogen Adsorption Prediction in Copper Nanoclusters: A Computer Vision-Based Transfer Learning Approach
2025· 1 cited
Understanding the Capabilities of Molecular Graph Neural Networks in Materials Science Through Multimodal Learning and Physical Context Encoding
arXiv (Cornell University)·2025Open Access
Eco-friendly layered carbide synthesis from renewable precursors for energy storage applications
iScience·2025· 3 citedOpen Access
Drug delivery potential of γ-graphyne, 6,6,12-graphyne and γ-graphdiyne for 5-Fluorouracil: insights from DFT calculations
Composite Interfaces·2025· 10 cited
Stress-Testing Multimodal Foundation Models for Crystallographic Reasoning
2025
Multimodal neural network-based predictive modeling of nanoparticle properties from pure compounds
Machine Learning Science and Technology·2024· 12 citedOpen Access
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Frequent Co-authors

İskender Muz(17), Hasan Kurban(9), Fahrettin Göktaş(5), Bayram Gündüz(4), Mehmet Dalkılıç(4), Šakír Erkoç(3), Cengiz S. Ozkan(3), Sholeh Alaei(2), Can Polat(2), Rahma El Mouhi(2), Asmae Fitri(2), Adil Touimi Benjelloun(2), Mohammed Benzakour(2), Mohammed Mcharfi(2), Taner Zerrin(2), Mihrimah Ozkan(2), Zahra Shariatinia‬(2), Abdullah Candan(1), Fatih Kara(1), Burhan Çoşkun(1)