Georg KresseView profile
Professor
Georg Kresse is a full Professor of Computational Quantum Mechanics at the University of Vienna's Faculty of Physics, leading the Computational Materials Physics group. He developed the Vienna ab initio Simulation Package (VASP), a globally dominant tool for quantum mechanical materials simulations. His research spans theoretical solid-state physics, surface science, and computational materials physics, with recent emphasis on machine learning integration and advanced electronic structure methods. Born in Vienna (1967), habilitated in condensed matter theory Full member of Austrian Academy of Sciences and International Academy of Quantum Molecular Science Recipient of START Grant (2003), Kardinal-Innitzer-Preis (2016), honorary doctorate from Lund (2022) Research focuses include: Density Functional Theory : Development of advanced functionals (hybrid, GW, RPA) Machine Learning : Applications to materials properties and force fields Quantum Monte Carlo : AFQMC methods for solids Surface Physics : Oxidation reactions and catalytic processes His publications show strong representation in: Quantum mechanical simulations Electronic and optical properties Phase transitions and thermodynamics Energy materials and nanotechnology Major projects include: MECS : Materials for Energy Conversion and Storage (2023-2028) TACO : Taming Complexity in Materials Modeling (2021-2029) DCAFM : Doctoral College Advanced Functional Materials (2020-2025) His group maintains VASP, combining first-principles methods with machine learning to advance materials science understanding.



