quacc (pronounced "quack" 🦆) is a flexible platform for high-throughput computational materials science and quantum chemistry built for the exascale era, maintained by the Rosen Research Group at Princeton University.

  • quacc makes it possible to easily run pre-made workflows that can be efficiently dispatched anywhere: locally, HPC, the cloud, or any combination thereof.

  • quacc leverages community resources. It is built around the Atomic Simulation Environment and much of the software infrastructure powering the Materials Project.

  • quacc gives you the freedom of choice. Through a single, unified interface to several supported workflow management solutions, quacc lets you use what best suits your unique computing needs.

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