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stephanmg/README.md

Stephan Grein

Applied Mathematician | Computational Systems Biology | Scientific Software Engineer

I build computational tools for mechanistic modeling, data analysis, and high-performance simulation in life sciences.

Core areas: • Systems biology • HPC parameter estimation • Scientific software • Data analysis pipelines

🔬 Research focus

  • Mechanistic modeling (ODE/PDE)
  • Systems biology & metabolic networks
  • HPC parameter estimation
  • AI-assisted modeling

💻 Technical stack

Python | R | Julia | C++ | HPC | Docker | Kubernetes | SLURM

📦 Featured projects

  • Shiny-Calorie (indirect calorimetry analysis)
  • VRL-SWC-Density-Vis (neuron morphology analysis)
  • NeuroBox3D plugins

📄 Publications ORCID

📬 Contact

Contact information can be found on the left most panel - feel free to browse my recent and public projects.

For secure e-mailing find my GPG fingerprint as: F598 BCFF 445C C90F 3312 3C71 7D30 C7E5 7559 76A6.

The details

I am an applied mathematician who has completed postdoctoral research positions as detailed below.

I am currently planning to transition from academia to an R&D role in industry by the end of 2026. My work focuses on applying both novel and established mathematical methods to problems in systems biology, with the goal of supporting pre-clinical and translational research in the life sciences.

Selected examples of my work are presented below. If my background and skills align with your organization's interests, I would be very happy to connect. Please feel free to reach out using the contact information provided.


Up to mid of 2026, I am/was a postdoctoral fellow in the lab of Jan Hasenauer where my research revolves around the interfaces of life sciences, mathematics and computer science. We developed mechanistic models (ODE/PDEs) and applied methods of parameter estimation in Julia/Python to calibrate models and to shed light on the interplay / ramifications of dynamical biological processes in cells in the special research fields BATenergy and Metaflammation. Therefore we leveraged AI-tools, artificial neural networks/deep learning approaches and recent advances in bioinformatics on high-performance computing infrastructure. We developed pipelines for statistical data analysis and visualization (R/Python, Javascript/Typescript) of large-scale data sets, knowledge representation and reasoning on metadata using semantic web technologies (graph databases, SPARQL, ontologies in OWL format) focusing on reusability, repeatability and reproducibility.

I've actively maintained / contributed to the following repositories:


Up to 2020 I have been working in the field of computational neuroscience under supervision of the Queisser lab. I developed novel numerical methods and grid generation tools for modelling and simulation of spatially-resolved intracellular ion dynamics in neurons by PDEs/ODEs on HPC/HTC infrastructure. We made use of GPU programming on NVIDIA GPUs through CUDA/cg shader programming for interactively visualizing and numerical analysis of scientific data sets in the virtual reality framework Unity VR (C#). Major programming experience stems from C++/C and Lua, Java and Python. I developed prior to that also numerical models for multi-scale and hybrid-dimensional phenomena in molecular dynamics/computational neuroscience and mesh generation methods for the study of intracellular Calcium waves, neuronal plasticity and memory formation.

I have been a contributor to the following repositories:

You can find my works on ResearchGate.

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  1. calorimetry calorimetry Public

    Shiny-Calorie: A context-aware application for indirect calorimetry data analysis and visualization using R

    R

  2. calorimetry-tools calorimetry-tools Public

    Creates TSE v6 datasets from IMPC database for metabolic phenotyping

    Python

  3. ICB-DCM/fiddy ICB-DCM/fiddy Public

    Finite difference methods.

    Python 5 1

  4. NeuroBox3D/NeuGen NeuroBox3D/NeuGen Public

    NeuGen is made for generation of dendritic and axonal morphology of realistic neurons and networks in 3D

    Java 12 1

  5. c2m2/Neuro-VISOR c2m2/Neuro-VISOR Public

    A research tool based in virtual reality. Produced by the Center for Computational Mathematics and Modeling at Temple University

    C# 13 13

  6. NeuroBox3D/neuromorpho NeuroBox3D/neuromorpho Public

    Making use of the REST API (NeuroMorpho.org v7) to query the database

    Python 13 3