I'm working on tools for and applications of computational catalysis in the ComCat Lab at Simon Fraser University, Canada.
ugognw / quacc Goto Github PK
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quacc is a flexible platform for computational materials science and quantum chemistry that is built for the exascale era.
Home Page: https://quantum-accelerators.github.io/quacc/
License: BSD 3-Clause "New" or "Revised" License