Felix Hanke
Fritz Haber Institute of the Max Planck Society
1 paper in the Anchorcite directory, published in 2009, cited 2,984 times in total.
ORCID profileResearch topics
- Catalytic Processes in Materials Science · 1 paper
- Advanced Chemical Physics Studies · 1 paper
- Machine Learning in Materials Science · 1 paper
Frequent co-authors
- Volker Blüm · 1 paper
- Ralf Gehrke · 1 paper
- P. Havu · 1 paper
- Ville Havu · 1 paper
- Xinguo Ren · 1 paper
- Karsten Reuter · 1 paper
- Matthias Scheffler · 1 paper
Papers
- Ab initio molecular simulations with numeric atom-centered orbitalsComputer Physics Communications · 2009 · 2,984 citations
We describe a complete set of algorithms for ab initio molecular simulations based on numerically tabulated atom-centered orbitals (NAOs) to capture a wide range of molecular and materials properties from quantum-mechanical first principles. The full algorithmic framework described here is…
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