The FHI-aims Code: All-electron, ab initio materials simulations towards the exascale
2022
Online
report
FHI-aims is a quantum mechanics software package based on numeric atom-centered orbitals (NAOs) with broad capabilities for all-electron electronic-structure calculations and ab initio molecular dynamics. It also connects to workflows for multi-scale and artificial intelligence modeling.
Comment: 7 pages, 4 figures
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The FHI-aims Code: All-electron, ab initio materials simulations towards the exascale
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Autor/in / Beteiligte Person: | Blum, Volker ; Rossi, Mariana ; Kokott, Sebastian ; Scheffler, Matthias |
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Veröffentlichung: | 2022 |
Medientyp: | report |
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