After we released a preliminary snapshot of DFTK last year our focus in the first half of this year was on using it for some new science. Recently, however, we got back into polishing our code base and our documentation in order to get DFTK ready for a wider audience …read more
At this year's 36th Chaos Communication Congress in Leipzig, I signed up to give a short introductory workshop for Julia. To my surprise the room was completely packed yesterday, even though the meeting was scheduled for 11am on day 4 ... Everyone at the session was extremely engaged and packaged with …read more
As part of my research stay at the Matherials team of ENPC Paris Tech and Inria I have been developing the density-functional toolkit, DFTK.jl, together with Antoine Levitt and Eric Cancès. Finally after about six months of joint effort on this Julia code, we just released a first preview …read more
A quick teaser for some Julia-related activities around Paris, I am involved with in the next months.
17 Oct 2019, 19:00, QuantStack (27 Rue du Chemin Vert 75011, Paris): The first Julia meet-up of Paris. We want to gather the people in and around Paris, who are interested in …
Yesterday I gave a short lightning talk at the Inria Devmeetup about Julia. My intention was to show a few of the design aspects of this rather recent programming language and motivated from my experiences in my current PostDoc project at the MATHERIALS team hint at interesting ongoing developments. For …read more
In the past couple of days I hacked together a small Python script, which searches through the EMSL basis set exchange library of Gaussian basis sets via the commandline.
Unlike the webinterface it allows to useread more
grep-like regular expressions for matching the names and descriptions of the basis sets …
In the talk I presented some ideas how to incorporate property-based testing into test suites forread more
C++programs. The idea …