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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.

Acknowledgments¶

This material is based upon work supported by the National Science Foundation under Award No. OAC-2514141.