George Volonakis

George Volonakis serves as a Junior Professor at the University of Rennes, France, affiliated with the Institute of Chemical Sciences of Rennes (ISCR) and the Inorganic Theoretical Chemistry team (CTI). His research focuses on computational materials science for energy applications, employing first-principles quantum mechanical calculations to investigate perovskite-based materials for next-generation solar cells and opto-electronic devices.

His primary research interests encompass computational prediction of structural, electronic, and optical properties in energy materials, with specialized expertise in halide perovskites and their surface/interface phenomena. He develops advanced simulation methodologies including parameter-free hybrid functionals and efficient semiempirical approaches to model complex materials systems, aiming to accelerate discovery of stable, high-efficiency photovoltaic materials through computational design.

Analysis of his 2021-2025 publications reveals sustained focus on perovskite materials science, with growing emphasis on lead-free alternatives (double perovskites), dimensionality effects (2D/3D structures), and polaronic phenomena. Key trends include integration of computational predictions with experimental validation, methodological innovations for band gap prediction, and targeted exploration of surface stability issues critical for device performance.

Professor Volonakis currently leads the ANR-funded SURFIN project investigating surfaces/interfaces in new materials, demonstrating active grant support. Holding an HDR qualification, he supervises PhD students and maintains an open recruitment policy for motivated candidates. His research group operates within the CTI team at ISCR, providing computational expertise in materials discovery with strong collaborative links to experimental groups.