A platform to enable high-throughput, database-driven quantum chemistry and computational materials science
quacc – The Quantum Accelerator 🦆
quacc is a flexible platform for computational materials science 💎 and quantum chemistry 🧪 that is built for the big data era 🔥. It is maintained by the Rosen Research Group at Princeton University.
quacc makes it possible to easily run pre-made computational materials science workflows that can be efficiently dispatched anywhere: locally, HPC, the cloud, or any combination thereof.
quacc gives you the freedom of choice. Through a single, unified interface to several workflow management solutions, you can use what best suits your unique computing needs.
quacc leverages community resources so we don't reinvent the wheel. It is built around the Atomic Simulation Environment and much of the software infrastructure powering the Materials Project.
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If you use quacc in your work, please cite it as follows:
quacc is released under a BSD 3-Clause license.
FAQs
A platform to enable high-throughput, database-driven quantum chemistry and computational materials science
We found that quacc demonstrated a healthy version release cadence and project activity because the last version was released less than a year ago. It has 1 open source maintainer collaborating on the project.
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