Assist. Prof. Dr. Constantinos D. Zeinalipour-Yazdi | Ammonia Synthesis | Best Researcher Award

Northeastern University London, United Kingdom.

Dr. Constantinos D. Zeinalipour-Yazdi is an Assistant Professor of Chemistry at Northeastern University London. He is a distinguished researcher known for his contributions to catalysis, materials science, and computational modeling. His work focuses on understanding chemical reaction mechanisms and developing novel catalysts and materials for diverse applications. His research employs density functional theory (DFT) and other computational methods to investigate reaction pathways and material behaviors. He has led multiple high-impact projects and contributed significantly to advancing theoretical chemistry and material science.

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🎓 Education

Dr. Constantinos D. Zeinalipour-Yazdi earned his Ph.D. in Chemistry from the University of California, San Diego & San Diego State University in 2006. Following his doctorate, he held prestigious research fellowships and academic appointments at leading institutions worldwide. He was a Research Fellow at University College London (UCL), where he contributed to advancements in computational chemistry and catalysis. He also held positions at the University of Cambridge and Imperial College London, focusing on density functional theory (DFT) and materials science applications. His extensive experience spans collaborations with top-tier universities and research centers, making significant contributions to theoretical and computational chemistry.

💼 Experience

Dr. Constantinos D. Zeinalipour-Yazdi is an Assistant Professor of Chemistry at Northeastern University London, where he focuses on computational and theoretical chemistry. He previously served as a Research Fellow under the Cyprus Research Promotion Foundation (RPF), contributing to groundbreaking research in molecular modeling and catalysis. As a Lead Investigator at the Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory (PNNL), he spearheaded studies on chemical reaction mechanisms and materials science applications. Additionally, he has been an active participant in multiple European Union and Engineering and Physical Sciences Research Council (EPSRC)-funded projects, collaborating on cutting-edge advancements in energy materials, catalysis, and computational chemistry.

🔬 Research Interests

Catalysis & Reaction Mechanisms: Investigating ammonia and hydrazine synthesis mechanisms on metal nitrides.

Materials Science: Developing and optimizing catalysts for reactions such as the Water-Gas Shift reaction.

Computational Chemistry: Utilizing DFT and multiscale simulations to study material properties and reaction pathways.

🏆 Awards & Recognitions

Multiple grants and research fellowships from EPSRC, EMSL, and EU Framework Programmes

Recognized for high-impact computational studies in catalysis and materials science

International Invention Awards recipient

📚 Selected Publications

A DFT assessment of the activation barrier for concerted proton transfer in cyclic water clusters (H₂O)ₙ where n = 3–8
Computational and Theoretical Chemistry (Feb 2025)
DOI: 10.1016/j.comptc.2024.115061
Co-authors: Numair Elahi

Emerging Trends in Palladium Nanoparticles: Sustainable Approaches for Enhanced Cross-Coupling Catalysis
Catalysts (Feb 2025)
DOI: 10.3390/catal15020181
Co-authors: Jude I. Ayogu, Numair Elahi

A study using physical sphere-in-contact models to investigate the structure of close-packed nanoparticles supported on flat hexagonal, square, and trigonal lattices
Chemical Physics (Jan 2025)
DOI: 10.1016/j.chemphys.2024.112464

3D Printed Sphere-in-Contact Models of Carbon Materials
Preprint (2024)
DOI: 10.2139/ssrn.4985077
Co-authors: Toby Chai, David Pullman, Deborah Gater, James Kneller

A computational study of H-bonded networks in cyclic water clusters, (H₂O)ₙ (n = 3–12)
Journal of Molecular Modeling (2024)