Yesterday our #cecam workshop on #uncertainty quantification (#uq)
for atomistic modelling and #machinelearning for #materials #modelling
and #chemistry started.

The opening contribution was by Niklas Schmitz from @MatMat
on #uq for #densityfuncitionaltheory:
https://github.com/niklasschmitz/tutorial-cecam-workshop-dftk-2025
building upon our recent preprint https://arxiv.org/abs/2509.07785.

#condensedmatter #physics #dftk

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

Just delivered a talk on algorithmic differentiation in our #dftk density-functional theory code at the #cecam workshop on #dft and #ai

Slides: https://michael-herbst.com/talks/2025.03.04_DFT_AI_Learning_each_other.pdf
#julialang demo: https://michael-herbst.com/talks/2025.03.04_DFT_AI_Learning_each_other_design.html

Check out the 2023 #CECAM program: https://www.cecam.org/program

54 exciting workshops, schools and conferences will be held across the network between April 2023 and March 2024.

I am also organizing a workshop in Lausanne in September, here for further details: https://www.cecam.org/workshop-details/1204