kjappelbaum / aiida-lsmo Goto Github PK

I'm a research group leader in Germany (FSU Jena, Helmholtz Center for Polymers in Energy Applications) looking into how data can be used to expedite materials design and discovery. I've been developing tools for MOFs, but also generally applicable ML systems. For this, I'm also looking into ways to improve data capture and dissemination in experimental chemistry. For example, I've been collecting interesting datasets that we are now using to train a chemistry LLM, in the ChemNLP project, that I co-lead.