Michael Herbst
herbst@social.epfl.ch
<p>Prof in <a href="https://social.epfl.ch/tags/mathematics" class="mention hashtag" rel="tag">#<span>mathematics</span></a> and <a href="https://social.epfl.ch/tags/materials" class="mention hashtag" rel="tag">#<span>materials</span></a> science at <a href="https://social.epfl.ch/tags/EPFL" class="mention hashtag" rel="tag">#<span>EPFL</span></a>. Head of <span class="h-card" translate="no"><a href="https://social.epfl.ch/@MatMat" class="u-url mention">@<span>MatMat</span></a></span>. <a href="https://social.epfl.ch/tags/Research" class="mention hashtag" rel="tag">#<span>Research</span></a> in <a href="https://social.epfl.ch/tags/atomistic" class="mention hashtag" rel="tag">#<span>atomistic</span></a> simulations, density-functional theory (#dft). Error control, <a href="https://social.e
Posts
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Released #dftk version 0.7.14: https://dftk.org/releases with another round of #performance improvements for #nvidia GPUs as well as a faster algorithm for response calculations based on our recent #preprint http://arxiv.org/abs/2505.02319. #densityfunctionaltheory #condensedmatter #dfpt #response #physics #simulation #planewave
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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_perspect...
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This week the @MatMat group takes part in the #psik conference (https://www.psik2025.net/) at #epfl with plentey of cutting-edge talks on #materials #modeling and simulations of #condensedmatter. My contribution has been a short talk on #error quantification and propagation in #densityfunctionaltheory simulations leveraging the built-in #automaticdifferentiation framework of the #dftk code for automatic gradient computation. Slides: https://michael-herbst.com/talks/2025.08.25_Psik.pdf
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Released #dftk version 0.7.19: https://dftk.org/releases with support for #hubbard corrections (#DFT+U) and various #gpu-related #performance improvements. #densityfunctionaltheory #condensedmatter #dfpt #response #physics #simulation #planewave
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Just arrived at #39c3. Looking forward to 4 days of fun conversations about #privacy, digital #souverainity and the key #security nightmares of the year. Happy #hacking
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Released DFTK version 0.7.22: https://dftk.org/releases with initial support for exact exchange and #HybridDFT and notable #performance engineering for #GPU-based #response calculations. Special thanks to Augustin Bussy (CSCS) and Tobias Schäfer (TU Wien) as well as all other #dftk contributors. #densityfunctionaltheory #condensedmatter #dfpt #physics #simulation #planewave
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For those of you who missed our exhibition Shapes at #epfl @EPFLPavilions: there is now an interactive online visit of the exhibiton available online: https://epfl-pavilions.ch/en/exhibitions/shapes #virtualreality #outreach #art #mathematics #materials #biology