Stefan Goedecker

Professor Stefan Goedecker is a distinguished faculty member in the Department of Physics at the University of Basel, Faculty of Science. He holds the position of Professor of Computational Physics and leads an active research group focused on developing advanced computational methods for materials science and quantum physics.

Dr. Goedecker received his physics education at the Technical University Munich and the College of William and Mary, followed by a Ph.D. from EPFL Lausanne. His postdoctoral training included positions at Cornell University and the Max-Planck Institute in Stuttgart. In 2003, he was appointed Professor of Computational Physics at the University of Basel, where he has established himself as a leading researcher in computational methods development.

His research interests center on computational physics with emphasis on electronic structure calculations, atomistic simulations, and the development of novel algorithms for materials science applications. His work has strong interdisciplinary connections spanning physics, mathematics, material sciences, chemistry, and computer science. Current research directions include machine learning applications in catalysis, fourth-generation neural network potentials for molecular chemistry, and methods for quantifying material synthesizability.

Analysis of his recent publications reveals a strong focus on advancing computational methods for electronic structure calculations, with particular emphasis on machine learning potentials, molecular dynamics optimization, and accurate modeling of material properties. His work bridges theoretical physics with practical applications in materials science and nanotechnology, with increasing integration of artificial intelligence techniques into traditional computational physics frameworks.

• Machine learning for Catalysis (Ongoing)
• Fourth-Generation Neural Network Potentials for Molecular Chemistry (Completed)
• Towards Quantifying the Synthesizability of Materials (Completed)

Professor Goedecker's research group operates within the Department of Physics at the University of Basel, which is part of the NCCR SPIN initiative focused on silicon-based quantum computing development. The department hosts over 20 research groups with more than 180 teaching staff members, creating a vibrant research environment for computational physics and quantum technologies.