Sebastian Kokott
- Roadmap on Advancements of the FHI-aims Software Package
2025/04/30 by Joseph W. Abbott, Carlos Mera Acosta, Abbott, Joseph W. +405 · 3 voices · 10 citations
Physics and Astronomy · #cond-mat.mtrl-sci #physics.chem-ph
- Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atoms
2024/03/15 by Sebastian Kokott, Florian Merz, F. Merz +8 · 2 voices · 2 citations
Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Atomic physics #Electron #Electron and X-Ray Spectroscopy Techniques #Electron density #Machine Learning in Materials Science #Materials science #Physics #Quantum mechanics #Statistical physics #cond-mat.mtrl-sci
- The FHI-aims Code: All-electron, ab initio materials simulations towards the exascale
2022/08/25 by Volker Blüm, Blum, Volker, Mariana Rossi +5 · 1 citation
Chemical Engineering · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- Electronic Impurity Doping of a 2D Hybrid Lead Iodide Perovskite by Bi and Sn
2023/06/08 by Haipeng Lu, Gabrielle Koknat, Yi Yao +16 · 1 voice · 2 citations
Engineering · Materials Science · #2D Materials and Applications #Perovskite Materials and Applications #Quantum Dots Synthesis And Properties
- The CECAM electronic structure library and the modular software development paradigm.
2020/07/14 by Micael J. T. Oliveira, Oliveira, Micael JT, Nick Papior +71 · 1 citation
Materials Science · Computer Science · Engineering · #Machine Learning in Materials Science #Parallel Computing and Optimization Techniques #Semiconductor materials and devices