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.
"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.
"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.