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| Stephan Goedecker | |
|---|---|
| Name | Stephan Goedecker |
| Nationality | German |
| Fields | Physics, Computational Chemistry |
| Alma mater | University of Mainz, University of Stuttgart |
| Known for | Density-functional tight binding, numerical atomic orbitals, linear-scaling algorithms |
Stephan Goedecker
Stephan Goedecker is a German physicist and computational scientist known for contributions to electronic structure methods and high-performance computational algorithms. He has held appointments at European research institutions and contributed software and theoretical frameworks used across Max Planck Society, CNRS, CEA, European Research Council, Deutsches Elektronen-Synchrotron, and university groups. His work interfaces with computational frameworks employed in projects at Argonne National Laboratory, Lawrence Berkeley National Laboratory, Oak Ridge National Laboratory, National Institutes of Health, and major supercomputing centers.
Goedecker studied physics and completed advanced degrees at the Johannes Gutenberg University Mainz and the University of Stuttgart. During his doctoral research he engaged with topics connected to electronic structure theory relevant to groups at Max Planck Institute for Solid State Research, MPI for Polymer Research, and collaborations with researchers from ETH Zurich, University of Cambridge, Imperial College London, and University of Oxford. His early mentors and collaborators intersected with scientists associated with institutions like the Weizmann Institute of Science, École Normale Supérieure, and École Polytechnique.
Goedecker has held research and faculty positions in European laboratories and universities, contributing to science policies involving the European Commission and research networks linked to the Marie Skłodowska-Curie Actions and the Horizon 2020 framework. He has been affiliated with national facilities such as the High Performance Computing Center Stuttgart and has collaborated with consortia involving Forschungszentrum Jülich, Technische Universität Munich, Karlsruhe Institute of Technology, and international partners at the National Center for Scientific Research (CNRS). His career includes engagements with the Frankfurt Institute for Advanced Studies, University of Basel, and visiting roles at research centers like Los Alamos National Laboratory and Lawrence Livermore National Laboratory.
Goedecker developed methods in electronic structure theory that influenced applications across computational chemistry and condensed matter physics used by groups at Princeton University, Harvard University, and Massachusetts Institute of Technology. He contributed to the development of density-functional tight binding approaches used alongside schemes from Walter Kohn-related density functional theory implementations and methods propagated in codes supported by National Science Foundation and Deutsche Forschungsgemeinschaft. His research addresses problems studied by teams at University of California, Berkeley, Columbia University, Yale University, and Stanford University. Topics related to his work intersect with research at CERN, European Southern Observatory, and institutes like RIKEN and Max Planck Institute for the Physics of Complex Systems.
Goedecker authored and co-authored software implementing linear-scaling algorithms and numerical atomic orbital bases used in packages interoperable with projects from BerkeleyGW, Quantum ESPRESSO, VASP-related studies, and research infrastructures at XSEDE and PRACE. His implementations influenced performance optimizations relevant to architectures from NVIDIA, AMD, Intel Corporation, and supercomputers such as Summit (supercomputer), Fugaku, and JURECA. Software efforts interfaced with visualization and workflow tools developed at Kitware, Schrödinger, and scientific data initiatives like Materials Project, AFLOW, and NOMAD Repository.
His recognitions include fellowships and project funding linked to organizations such as the European Research Council, Alexander von Humboldt Foundation, and prizes awarded within networks including the Gordon Research Conferences and European research prizes administered by the European Physical Society. He has been invited to speak at conferences organized by American Physical Society, Royal Society, International Union of Pure and Applied Physics, and symposia held by Royal Society of Chemistry and German Physical Society.
- Goedecker, S.; coauthors. Works cited by groups at Physical Review Letters, Physical Review B, and Journal of Chemical Physics on linear-scaling density functional methods and tight-binding parameterizations. - Publications appearing in proceedings of International Conference on Computational Science and articles referenced by reports from Intergovernmental Panel on Climate Change modeling groups for algorithmic advances. - Contributions to review volumes and chapters in books published by Springer, Cambridge University Press, and Oxford University Press covering numerical methods and applications to materials studied at Argonne, Brookhaven National Laboratory, and European Synchrotron Radiation Facility.
Category:German physicists Category:Computational chemists