Johannes Wasmer

• Bachelor: software engineering & applied math

• Master:

  • core: numerical methods & HPC
  • emphasis: computational solid state physics & data science

• Interests:

Some projects I did

Bachelor thesis

• 2017 at Access e.V.

• Wrote a database for metal casting simulations. Java, JavaFX, Hibernate.

• Including a diff tool for simple statistical comparison of simulations

Guest student

• 2018 at Jülich Supercomputing Centre

• Wrote treemap visualization plugin for Cube performance report explorer. C++, Qt.

Student assistant

• Koschmieder, L., Hojda, S., Apel, M. et al. AixViPMaP®—an Operational Platform for Microstructure Modeling Workflows. Integr Mater Manuf Innov 8, 122–143 (2019). https://doi.org/10.1007/s40192-019-00138-3

• Contributed to HDF5 exchange format of the platform. Python, HDF5.

Student lab

• 2019 at Institute of Quantum Theory of Materials, Jülich (Prof. Blügel)

• Product: bandstructure and DOS visualization tool

• Wrote a generic HDF5 preprocessor and the GUI. Python, Jupyter.

Master thesis

• 2021 at Institute of Quantum Theory of Materials, Jülich with Prof. Blügel, Dr. Rüßmann

• Product: Single impurity database. An AiiDA training database for ab initio surrogate ML models of materials defects. Python.

• Investigating ways to bridge the worlds of scientific workflows & MLOps

PhD thesis

• 2022-25 at Institute of Quantum Theory of Materials, Jülich and Helmholtz Data Science School with Prof. Blügel, Prof. Assent, Dr. Rüßmann

• Title: Development of a surrogate machine learning model for the acceleration of first-principles calculations

• From the start, the whole project has been under public version control