Johannes Wasmer
PhD Researcher & Research Software Engineer at HDS-LEE | Helmholtz School for Data Science in Life, Earth and Energy
Jülich, North Rhine-Westphalia, Germany
Summary
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Senior🎓
Top SchoolJohannes Wasmer is a PhD student and research software engineer with a decade of experience building production-quality scientific software and machine learning systems for atomistic and electronic-structure problems. Based at Forschungszentrum Jülich and the Helmholtz School for Data Science in Life, Earth and Energy, he develops surrogate ML models to accelerate first-principles calculations and contributes to open science initiatives like cost-daemon.eu. He combines a strong academic foundation in scientific programming and simulation from FH Aachen and RWTH Aachen with practical experience in high-performance computing, C++, Python and visualization tools. Creator of the "Best of Atomistic Machine Learning" list, he bridges research and engineering to make AI4Science methods accessible and reproducible.
11 years of coding experience
2 years of employment as a software developer
Bachelor of Science (BSc), Scientific Programming, Bachelor of Science (BSc), Scientific Programming at Aachen University of Applied Sciences - FH AachenMaster, Modeling, Virtual Environments and Simulation, Master, Modeling, Virtual Environments and Simulation at RWTH Aachen University
Github Skills (98)
density-functional-theory10
computational-chemistry10
scientific-computing10
computational-materials-science10
data-visualizations10
materials-informatics10
scientific-machine-learning10
quantum-chemistry10
drug-discovery10
visualization10
keras10
parsing10
utility10
chatgpt9
ai9
Programming languages (8)
Github contributions (5)
JuDFTteam/aiida-jutools
Dec 2020 - Dec 2022
Tools for simplifying daily work with the AiiDA workflow engine
Contributions:3 releases, 218 commits, 31 PRs in 2 years
workflow-engineaiidacomputational-materials-sciencecomputational-sciencedft
JuDFTteam/best-of-atomistic-machine-learning
Jun 2023 - Jul 2026
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
Contributions:2 releases, 2 reviews, 200 PRs in 3 years 1 month
machine-learningatomistic-machine-learningbest-of-listcomputational-chemistrycomputational-materials-science
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