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@herbst@social.epfl.ch

2025-06-24 20:49 UTC

As part of the #cecam workshop on perspectives of the atomistic simulation environment (#ase) I delivered a talk on our #materials #modeling ecosystem juliamolsim.org written in the #julialang programming language and showed some examples: #automaticdifferentiation through the simulation pipeline, seamless #gpu usage, #error propagation and many more Slides: https://michael-herbst.com/talks/2025.06.23_ASE_perspectives.pdf #julialang demo: https://michael-herbst.com/talks/2025.06.23_ASE_perspectives_demo.tar.gz #dftk #densityfunctionaltheory #condensedmatter #planewave #simulation

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