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Fermi.jl is a quantum chemistry framework written in pure Julia. This code is developed at the Center for Computational Quantum Chemistry at the University of Georgia under the supervision of Dr. Justin M. Turney and Prof. Henry F. Schaefer. This work is supported by the U.S. National Science Foundation under grant number CHE-1661604. Fermi focuses on post Hartree--Fock methods. Currently, only restricted references are supported. This is intended as a research code with an ever growing collection of methods implemented in the package itself. ...

ImplicitGlobalGrid is an outcome of a collaboration of the Swiss National Supercomputing Centre, ETH Zurich (Dr. Samuel Omlin) with Stanford University (Dr. Ludovic Räss) and the Swiss Geocomputing Centre (Prof. Yuri Podladchikov). It renders the distributed parallelization of stencil-based GPU and CPU applications on a regular staggered grid almost trivial and enables close to ideal weak scaling of real-world applications on thousands of GPUs [1, 2, 3]. ImplicitGlobalGrid relies on the Julia MPI wrapper (MPI.jl) to perform halo updates close to hardware limit and leverages CUDA-aware or ROCm-aware MPI for GPU-applications. ...