معرفی
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.
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