Octopus
Description
Octopus is a scientific program aimed at the ab initio virtual experimentation on a hopefully ever-increasing range of system types. Electrons are described quantum-mechanically within density-functional theory (DFT), in its time-dependent form (TDDFT) when doing simulations in time. Nuclei are described classically as point particles. Electron-nucleus interaction is described within the pseudopotential approximation. Octopus can also treat light-matter interaction at the level of Maxwell-TDDFT or quantum electrodynamics DFT (QEDFT).
More information
- Homepage: https://www.octopus-code.org/
Available Versions of Octopus
Version | Module | Available on |
|---|---|---|
16.4-foss-2025b-gpu-CUDA-12.8.0 | chem/Octopus/16.4-foss-2025b-gpu-CUDA-12.8.0 | Noctua 2, Otus |
16.4-foss-2025b | chem/Octopus/16.4-foss-2025b | Noctua 2, Otus |
This table is generated automatically. If you need other versions please click pc2-support@uni-paderborn.de.
Usage Hints for Octopus
If you need support in using this software or example job scripts please click pc2-support@uni-paderborn.de.