Octopus is a software package for performing density-functional theory (DFT) and time-dependent density-functional theory (TDDFT) simulations. It focuses on real-space methods to model electron-ion dynamics in systems under time-dependent electromagnetic fields. This simulator is known for its simplicity, allowing intuitive visualizations of wave functions and electron densities. It has been successfully used to calculate spectra, laser-induced processes, and more across various systems.
Inductiva stays up to date with the latest versions of Octopus. Below is a list of the supported versions, along with their respective release dates:
If you need to use a version not listed here, please feel free to Contact Us. We’ll be happy to accommodate your request!
Each version of Octopus in the Inductiva API has its own publicly available container image, so you can also use it to run simulations. These images are hosted in our Docker Hub repository, Kutu, and you can find the Dockerfile details for each version here.
The Inductiva Guide to Octopus ⚛️
Learn to run and scale Octopus simulations on the Inductiva.AI Cloud HPC platform. Explore tutorials and benchmarks for quantum & molecular modeling.
Test Your Inductiva Setup
Test your Inductiva.AI setup by running a quick Octopus simulation in the cloud before scaling to larger quantum & molecular studies.