Stefan Goedecker
- Los ilustradores de Verne
1995/01/01 by Stefan Goedecker, S. Goedecker, M. P. Teter +4 · 45 citations
Arts and Humanities · Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Comparative Literary Analysis and Criticism #Historical and Literary Analyses #Latin American Literature Analysis #Molecular spectroscopy and chirality #Spectroscopy and Quantum Chemical Studies
- 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 · 9 citations
#cond-mat.mtrl-sci #physics.chem-ph
- Solvent-Aware Interfaces in Continuum Solvation
2019/01/01 by Oliviero Andreussi, Nicolas G. Hörmann, Andreussi, Oliviero +9 · 2 citations
Engineering · Materials Science · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Molecular Junctions and Nanostructures #Soft Condensed Matter (cond-mat.soft) #Spectroscopy and Quantum Chemical Studies
- The energy landscape of silicon systems and its description by force fields, tight binding schemes, density functional methods and Quantum Monte Carlo methods
2009/10/21 by S. Alireza Ghasemi, Ghasemi, S. Alireza, Maximilian Amsler +17 · 1 citation
Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Semiconductor Quantum Structures and Devices #Theoretical and Computational Physics
- Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE)
2023/09/15 by Marco Krummenacher, Moritz Gubler, Krummenacher, Marco +9 · 2 citations
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
- Targeting high symmetry in structure predictions by biasing the potential energy surface
2022/09/12 by Hannes Huber, Martin Sommer, Huber, Hannes +5 · 1 citation
Chemistry · Materials Science · #70-08 #Boron and Carbon Nanomaterials Research #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Fullerene Chemistry and Applications #J.2 #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- Detecting non-local effects in the electronic structure of a simple\n covalent system with machine learning methods
2020/08/25 by Behnam Parsaeifard, Jonas A. Finkler, Parsaeifard, Behnam +3 · 1 citation
Materials Science · Physics and Astronomy · #Machine Learning in Materials Science #Advanced Chemical Physics Studies #Spectroscopy and Quantum Chemical Studies