Awesome
<div align="center"> <img src=https://github.com/Quantum-Accelerators/quacc/blob/main/docs/images/quacc_logo_wide.png width="300"><br> </div>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.
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quaccmakes 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. -
quaccgives 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. -
quaccleverages 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.
Documentation 📖
<p align="center"> <a href="https://quantum-accelerators.github.io/quacc/"><b><i>Learn More Here!</i></b></a> </p>... or skip to one of the following sections:
Citation 📝
If you use quacc in your work, please cite it as follows:
- quacc – The Quantum Accelerator, https://doi.org/10.5281/zenodo.7720998.
License ⚖️
quacc is released under a BSD 3-Clause license.