Skip to main content

Giannis Mpourmpakis (Ioannis Bourmpakis)

University of Pittsburgh
Ph.D., Theoretical and Computational Chemistry, University of Crete, 2006

Giannis Mpourmpakis received a B.S. in Chemistry, an M.S. in Applied Molecular Spectroscopy, and a Ph.D. in Theoretical and Computational Chemistry from the University of Crete. He was then a post doctoral “Marie-Curie” research fellow at the Center for Catalytic Science and Technology (University of Delaware) for the outgoing phase, and then at the Institute of Electronic Structure and Laser of the Foundation for Research and Technology in Hellas, Greece, for the return phase. He then held a senior researcher position at the Catalysis Center for Energy Innovation at the University of Delaware before joining the University of Pittsburgh in 2013.


My research expertise is interdisciplinary, blending concepts and techniques from Chemistry, Physics, Materials Science and Chemical Engineering. I use theory and computation to investigate the physicochemical properties of nanomaterials with potential applications in diverse nanotechnological areas, ranging from energy generation and storage, to materials design, nanoparticle growth, magnetism, and catalysis.
In the Computer-Aided Nano and Energy Lab (C.A.N.E.LA.), led by Prof. Mpourmpakis, we use theory and computation to investigate the physicochemical properties of nanomaterials with potential applications in diverse nanotechnological areas, ranging from green energy generation and storage to materials engineering and catalysis. Our laboratory core expertise lies on "ab-initio" electronic-structure theoretical calculations. We develop structure-activity relationships and apply multiscale tools to elucidate complex chemical processes that take place on nanomaterials. Ultimately, we design novel nanostructures with increased, molecular-level precision and tailored multifunctionality. 


Title Position Email
Mona Abdelgaid Graduate Student
Dylan Bayerl Postdoctoral Fellow
Michael Cowan Graduate Student
Mudit Dixit Postdoctoral Fellow
Emily Freeman Graduate Student
Sungil Hong Graduate Student
Julia McKay Graduate Student
Evan Miu Graduate Student
Anantha Venkataraman Nagarajan Graduate Student
Maya Salem Graduate Student
Robin Tan Graduate Student
Michael Taylor Graduate Student
Most Cited Publications

"SiC nanotubes: a novel material for hydrogen storage." Giannis Mpourmpakis, George E Froudakis, George P Lithoxoos, Jannis Samios. Nano letters.
"Carbon nanoscrolls: a promising material for hydrogen storage." Giannis Mpourmpakis, Emmanuel Tylianakis, George E Froudakis. Nano letters.
"Correlating particle size and shape of supported Ru/γ-Al2O3 catalysts with NH3 decomposition activity." Ayman M Karim, Vinay Prasad, Giannis Mpourmpakis, William W Lonergan, Anatoly I Frenkel, Jingguang G Chen, Dionisios G Vlachos. Journal of the American Chemical Society.
"Why boron nitride nanotubes are preferable to carbon nanotubes for hydrogen storage?: An ab initio theoretical study." Giannis Mpourmpakis, George E Froudakis. Catalysis today.
"DFT study of furfural conversion to furan, furfuryl alcohol, and 2-methylfuran on Pd (111)." Vassili Vorotnikov, Giannis Mpourmpakis, Dionisios G Vlachos. Acs Catalysis.

Recent Publications

"Identification of Stable Bimetallic Nanoclusters Via a Mathematical Optimization Framework." Xiangyu Yin, Natalie M Isenberg, Michael G Taylor, Giannis Mpourmpakis, Chrysanthos E Gounaris. 2019 AIChE Annual Meeting.
"Generalized Adsorption Models on Metal Nanoparticles." James Dean, Michael G Taylor, Giannis Mpourmpakis. 2019 AIChE Annual Meeting.
"Prediction of Nanoparticles Size Distribution: The Effects of Ligand Surface Coverage and Nanoparticle Size in Altering the Kinetics of Surface Growth." Saeed Mozaffari, Wenhui Li, Mudit Dixit, Giannis Mpourmpakis, Ayman M Karim. 2019 AIChE Annual Meeting.
"Understanding Mixing Behavior of Bimetallic Nanoparticles through Genetic Algorithm Modeling." Michael Cowan, James Dean, Giannis Mpourmpakis. 2019 AIChE Annual Meeting.
"Understanding Oligomerization Steps in Zeolite Growth Using Density Functional Theory." Emily Freeman, Jeffrey D Rimer, Giannis Mpourmpakis. 2019 AIChE Annual Meeting.