Jörg Neugebauer

Prof. Dr. Jörg Neugebauer is a distinguished Professor at the University of Paderborn (since 2003) and serves as Director and Scientific Member at the Max Planck Institute for Sustainable Materials (since 2004). He also leads the 'Modeling' advanced study group at the Interdisciplinary Center for Advanced Materials Simulation (ICAMS) since 2008.

• Research Focus: Ab initio (parameter-free) scale-bridging simulations, computational materials design, surface and defect physics, epitaxy, and microstructure modeling.
• Key Contributions: Development of machine learning potentials, defect phase diagrams, and automated computational workflows (e.g., pyiron, mamonca).

Scientific Trends: His recent work emphasizes integrating machine learning with ab initio methods, exploring defect thermodynamics, and advancing electrochemical interface modeling. Articles highlight applications in alloy design, hydrogen behavior, and multi-scale simulations.

• Awards: Humboldt Prize (1990), ERC Advanced Grant SMARTMET (2012), Member of the Academy of Sciences and Arts in North Rhine-Westphalia (2010).