I am Jan and I love automation, because automation helps me to focus on the important things in life.
I currently hold the position of group leader for Materials Informatics at the Max-Planck Institute for Sustainable Materials, where my team and I automate the discovery of sustainable materials by developing workflows for ab-initio thermodynamics using uncertainty quantification to achieve quantitative predictions which can be directly compared with experiments, to ultimately reduce the number of required experiments and accelerate materials discovery. We standardize the development of workflows with the Python Workflow Definition, enable up-scaling workflows with executorlib and develop large language model agents for atomistic simulations using LangSim, all based on the pyiron workflow framework.
If you are an aspiring PhD student who wants to join us in the quest of automating materials discovery, please apply via the International Max-Planck Research School for Sustainable Metallurgy (IMPRS SusMet).
Beyond my professional interest I aim to automate repetitive tasks in my daily work, incuding:
- Two factor authentication wth pyauthenticator
- Email sorting with gmailsorter
- Software packaging with the conda-forge community