Andreas Hansen
Dr. Andreas Hansen
TRA Matter Steering Committee
  • Clausius-Institut für Physikalische und Theoretische Chemie
  • Mathematisch-Naturwissenschaftliche Fakultät
  • (Local) coupled cluster methods
  • Computational chemistry
  • Multilevel workflows
  • Benchmarking and high performance computing
My research focuses on the development of quantum chemical methods (local correlation methods and density functional theory for static correlation) and workflows (e.g., for redox potential prediction), with particular emphasis on the compilation of comprehensive benchmark sets and protocols for the reliable calculation of reference values for various chemical properties. Computational chemistry projects focusing on transition metal complexes, non-covalent interactions, and thermodynamic properties in close cooperation with experimentalists are also an essential part of my research.
Ausgewählte Publikationen

L. R. Maurer, M. Bursch, S. Grimme, and A. Hansen, (2021) Assessing Density Functional Theory for Chemically Relevant Open- Shell Transition Metal Reactions. J. Chem. Theory Comput. 17:6134−6151.

S. Grimme, A. Hansen, (2015) A Practicable Real-Space Measure and Visualization of Static Electron-Correlation Effects. Angew. Chem. Int. Ed. 54:12308-12313.

A. Hansen, D. G. Liakos, and F. Neese, (2011) Efficient and accurate local single reference correlation methods for high-spin open-shell molecules using pair natural orbitals. J. Chem. Phys. 135:214102.

Andreas Hansen
Dr. Andreas Hansen
TRA Matter Steering Committee
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