Dr. Christoph Schober

As a chemist with experience in Data Science Consulting and Software Engineering, I conduct research and teach at the intersection of computer science, physics, and chemistry. In the realm of classical High Performance Computing, utilizing supercomputers, my focus is on developing efficient and precise algorithms for calculating material properties using ab initio electronic structure methods.

I am also very interested in exploring how emerging quantum technologies and quantum computers can complement, alter, or potentially replace these established methods in the future.

Finally, based on my experience as interface or translator between different domains, I focus on bringing just the right amount of modern software engineering knowledge and best practices to projects in the area of high performance computing. This can range from CI/CD for Fortran-based simulation codes to automated workflow management for large HPC applications.