My research is mainly in the field of theoretical, computational and experimental studies of materials, aiming to understand existing and predict novel nanostructures with applications from clean energy to quantum technologies. The main idea is to circumvent the trial and error nature of the lab and accelerate materials innovation by using supercomputers to conduct virtual experiments and by using intelligent algorithms to automate the scientific process.
Extended description available here.
G. A. Tritsaris, E. Kaxiras, S. Meng, and E. Wang. 2013. “Adsorption and diffusion of lithium on layered silicon for Li-ion storage.” Nano Lett., 13, 5, Pp. 2258–2263.
G. A. Tritsaris, J. Greeley, J. Rossmeisl, and J. K. Nørskov. 2011. “Atomic-Scale Modeling of Particle Size Effects for the Oxygen Reduction Reaction on Pt.” Catal Lett., 141, 7, Pp. 909–913.
Complete list available here.