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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.
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quaccmakes it possible to easily run pre-made workflows that can be efficiently dispatched anywhere: locally, HPC, the cloud, or any combination thereof. -
quaccleverages community resources. It is built around the Atomic Simulation Environment and much of the software infrastructure powering the Materials Project. -
quaccgives you the freedom of choice. Through a single, unified interface to several supported workflow management solutions,quacclets you use what best suits your unique computing needs.
