EXPERIENCE
Senior Software Engineer @ HITS gGmbH
Since 08/2019
- Participation in the EU Centre of Excellence project Scalable Parallel Astrophysical Codes for Exascale (SPACE-CoE).
- Implementation of Random Acceleration Molecular Dynamics (RAMD) within GROMACS (C++)
- Implementation of Hyperspherical Variational Autoencoder (Spherinator)
- Implementation of Tools for Automated Characterisation of Oscillations (TACO) (Python and R)
- Design and implementation of a coarse-grained collagen simulation program (C++20)
- Implementation of a container-based development environment
Software Engineer @ HITS gGmbH
08/2014 - 07/2019
- Implementation of Parallelized rotation and flipping INvariant Kohonen maps (PINK) (C++, CUDA)
- Implementation of Force Distribution Analysis (FDA) in GROMACS (C++)
- Implementation of algebraic multigrid methods in HiFlow3 (C++)
- Bonsai code extension War Of Galaxies for ESO Supernova
- Project-oriented support for scientific groups
- In-house training of modern software development techniques
- Implementation and support of continuous integration services
- Advisory service in high-performance computing, C++, Docker, continuous integration and deployment, …
- Requirement analysis
Scientific Software Engineer @ AMS GmbH
12/2010 - 06/2014
- Implementation of a C++ library for automatic differentiation
- Implementation of molecular structure fragmentation for the automated force field fitting
- Contract research and validation studies for the chemical and pharmaceutical industry
- Integration of third-party software
- Validation studies to improve the accuracy of the crystal structure prediction
Research assistent @ Ludwig-Maximilians-Universität München
04/2010 - 11/2010
- Implementation of sparse algebra routines using multi-core CPU and GPU architectures
Research assistant @ Eberhard-Karls-Universität Tübingen
03/2009 - 03/2010
- Development and implementation of ab initio methods for high-accuracy calculations of large biochemical systems.
EDUCATION
02/2004 - 02/2009 PhD (summa cum laude)
Linear-scaling Møller-Plesset Perturbation Theory for the Calculation of Electron Correlation in Large Molecules
Institute of Physical and Theoretical Chemistry
University of Tübingen10/1998 - 02/2004 Chemistry Diploma
Institute of Physical and Theoretical Chemistry
University of Tübingen
CERTIFICATES
- Encoder-Decoder Architecture (Google, 2023)
- Introduction to Generative AI (Google, 2023)
- Introduction to Large Language Models (Google, 2023)
- Jenkins Engineer (CloudBees, 2017)
- Embedded Smart Home (OpenHPI, 2016)
- Concurrency- and Multi-Threading in C++11/14 (Nicolai Josuttis, 2015)
- C++ für Fortgeschrittene (Peter Gottschling, 2013)
- High-Performance Computing with GPGPUs (Leibniz-RZ, 2010)
PUBLICATIONS
B. Doser, K. L. Polsterer, and S. Trujillo-Gomez
Representation Learning for Gaia XP DR3
Astronomical Data Analysis Software and Systems XXXV (2026).B. Doser, K. L. Polsterer, A. Fehlner, and S. Trujillo-Gomez
Machine Learning Workflow for Morphological Classification of Galaxies
Astronomical Data Analysis Software and Systems XXXIV (2025).K. L. Polsterer, B. Doser, A. Fehlner, and S. Trujillo-Gomez
Spherinator and HiPSter: Representation Learning for Unbiased Knowledge Discovery from Simulations
Astronomical Data Analysis Software and Systems XXXIII (2024).D. B. Kokh, B. Doser, S. Richter, F. Ormersbach, X. Cheng, and R. C. Wade
A workflow for exploring ligand dissociation from a macromolecule: Efficient random acceleration molecular dynamics simulation and interaction fingerprint analysis of ligand trajectories
J. Chem. Phys. 153, 125102 (2020).K. L. Posterer, F. Gieseke, C. Igel, B. Doser, and N. Gianniotis
Parallelized rotation and flipping INvariant Kohonen maps (PINK) on GPUs
ESANN (2016).B. Doser, D. S. Lambrecht, J. Kussmann, and C. Ochsenfeld
Linear-Scaling Atomic Orbital-Based Second-Order Møller-Plesset Perturbation Theory by Rigorous Integral Screening Criteria
J. Chem. Phys. 130, 064107 (2009).
TALKS
- EDUCADO Slurm Workshop
EDUCADO–MWGaiaDN Training School, 2026 in Gent - Poster: Representation Learning for Gaia XP DR3 (Gaia Explorer)
Astroinformatics 2026 in Cologne - Poster: Representation Learning for Gaia XP DR3
ADASS XXXV, 2025 in Görlitz - Representation Learning with Spherinator (Video)
SPACE CoE: High-Performance Computing Visualization, 2025 in Barelona (Spain) - Poster: Machine-Learning Workflow for Morphology Classification of Galaxies
ADASS XXXIV, 2024 in Valetta (Malta) - Seminar: Machine Learning Workflow Orchestration
HITS gGmbH, 2024 in Heidelberg - Machine learning prototype for SPACE applications (Video)
SPACE CoE, May 2024 - Workshop: The New ISO Standard C++20
HITS gGmbH, 2022 in Heidelberg - Demo: Parallelized rotation and flipping INvariant Kohonen maps (PINK)
ADASS 2019 in Groningen, the Netherlands - Workshop: Dependency management
HITS gGmbH, 2019 in Heidelberg - Workshop: Continuous Integration and Deployment
HITS gGmbH, 2017 in Heidelberg - HiFlow3: Classification regarding new C++ techniques
EMCL-Klausurtagung, 2015 in Trier - Workshop: Modern Software Development with C++
HITS gGmbH, 2015 in Heidelberg - Assessment of a Variety of Dispersion-corrected Density Functional Theory Calculations Used in Molecular Crystal Structure Prediction
7th German Conference on Chemoinformatics, 2011 in Goslar
