CP2K is a model designed for atomistic and molecular simulations of solid-state, liquid, molecular, and biological systems. It targets massively parallel and linear scaling electronic structure methods and state-of-the-art ab-initio molecular dynamics (AIMD) simulations.
Inductiva stays up to date with the latest versions of CP2K. 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 CP2K 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 CP2K ⚛️
Learn to run and scale CP2K 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 CP2K simulation in the cloud before scaling to larger quantum & molecular studies.