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Johannes S. Schmidt

Johannes S. Schmidt

PhD Candidate

Bern, Switzerland

About Me

I am a PhD student in Computer Science (Machine Learning) at the University of Fribourg in Switzerland, working with Professor Bastian Rieck in the AIDOS Lab. I am also a member of the ELLIS PhD Program and co-supervised by Guy Wolf.

My research focuses on learning structured data, i.e., graphs, triangulations, grids, meshes and more. I am interested in developing datasets and methods as well as applications to science.

As I am a physicist/mathematician by training, I am always looking for exciting problems in the natural sciences or mathematics. Computational bottlenecks that can be sped up through machine learning fascinate me. An example for such bottlenecks is the research I did during my Master thesis on Stable and Accurate Orbital-Free DFT Powered by Machine Learning.

My interest extends to finding mathematical, in particular geometric and topological, inductive biases for such problems in AI for science. I believe imposing the right mathematical biases is crucial for developing foundational models on tasks that contain such structure.

Background & Interest. I have worked on and/or taken courses in: Quantum Field Theory, String Theory, Particle Physics, Quantum Chemistry, Topology, Differential Geometry, and Information Theory.

New Interests. Biophysics, Material Science, (Micro-)Electronics, Electrical Engineering, and more.

I’m always happy to chat about research, potential collaborations, or anything else. Feel free to get in touch!

News

Experiences

Junior (IT) Consultant

Sep 2022 - Apr 2025 · TNG Technology Consulting GmbH

  • Full-stack software development including frontend, backend, and DevOPS. Projects included:
  • Developing an LLM application with access to different APIs as well as self-hosted LLMs
  • Implementation of automatic training pipeline for an image classification ML algorithm in AWS
  • Frontend development of a web application for said ML algorithm

Assistant Medical Physicist

Oct 2019 - Aug 2022 · Heidelberger Ionenstrahl-Therapiezentrum (HIT)

  • experimental verification of correct treatment delivery for patient treatment in ion beam therapy
  • verification of precise positioning of robotic components

Education

Ph.D. in Computer Science

2025 - current · University of Fribourg, Switzerland

M.S. in Physics

2022 - 2024 · Heidelberg University, Germany

Thesis: Towards Unrestricted Orbital-Free Density Functional Theory

B.S. in Mathematics

2020 - 2023 · Heidelberg University, Germany

Thesis: One-Loop Integration of Bosonic String Theory

B.S. in Physics

2018 - 2022 · Heidelberg University, Germany

Thesis: Higher Orders of Relative Entropy

Publications

In Review

2026. No Triangulation Without Representation: Generalization in Topological Deep Learning. Johannes S. Schmidt†, Martin Carrasco†, Ernst Röell, Guy Wolf, Nello Blaser‡, and Bastian Rieck‡.
BibTeX
@unpublished{Schmidt26a,
  title         = {No Triangulation Without Representation: Generalization in Topological Deep Learning},
  author        = {Johannes S. Schmidt and Martin Carrasco and Ernst Röell and Guy Wolf and Nello Blaser and Bastian Rieck},
  author+an     = {1=first,highlight; 2=first; 5=last; 6=last},
  year          = 2026,
  eprint        = {2605.06467},
  archiveprefix = {arXiv},
  primaryclass  = {cs.LG},
  keywords      = {AI/ML, TDL},
}

Journal Articles

2025. Stable and Accurate Orbital-Free DFT Powered by Machine Learning. Roman Remme, Tobias Kaczun, Tim Ebert, Christof A. Gehrig, Dominik Geng, Gerrit Gerhartz, Marc K. Ickler, Manuel V. Klockow, Peter Lippmann, Johannes S. Schmidt, Simon Wagner, Andreas Dreuw, and Fred A. Hamprecht. Journal of the American Chemical Society.
BibTeX
@article{remme2025stable,
  title   = {Stable and Accurate Orbital-Free {DFT} Powered by Machine Learning},
  author  = {Remme, Roman and Kaczun, Tobias and Ebert, Tim and Gehrig, Christof A. and Geng, Dominik and Gerhartz, Gerrit and Ickler, Marc K. and Klockow, Manuel V. and Lippmann, Peter and Schmidt, Johannes S. and Wagner, Simon and Dreuw, Andreas and Hamprecht, Fred A.},
  author+an = {10=highlight},
  journal = {Journal of the American Chemical Society},
  year    = {2025},
  doi     = {10.1021/jacs.5c06219},
  keywords      = {AI/ML, Chemistry},
}

† joint first authorship · ‡ joint last authorship

Hobbies

  • Surfing
  • Triathlon
  • Skiing
  • Chess
  • Microelectronics