About
My name is Sebastian Ehlert and I am a Senior Researcher in Microsoft Research AI for Science working on machine learning methods for electronic structure problems.
I did my PhD in chemistry with Stefan Grimme at the University of Bonn, where I worked on extended tight binding (xTB) methods, solvation models for semiempirical quantum mechanics, and dispersion corrections for density functional theory among other topic. I contributed large portions to the xtb program package and was or are still involved in various computational chemistry software packages.
Beside research I am active open source contributor for scientific software packages and a package maintainer for almost a hundred packages on conda-forge.