Hubertus Van Dam
HPC Consultant at University of Duisburg-Essen
Itzehoe, Schleswig-Holstein, Germany
Summary
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Senior🎓
Top SchoolHubertus Van Dam is an HPC consultant and computational chemist with 26 years of experience developing and scaling quantum chemistry software for extreme-parallel platforms. He has deep expertise in density functional theory and wavefunction methods (including multi-reference perturbation theory, CI, and MCSCF) and a strong track record of productionizing these methods for large-scale scientific codes like NWChem and GAMESS-UK. His recent focus blends algorithmic method development with fault-tolerance and heterogeneous computing strategies to make predictive, high-performance simulations robust on exascale systems. At institutions including Brookhaven, PNNL, and the University of Duisburg-Essen he has led application assessment, benchmarking, user support, and integration of advanced many-body capabilities into community software. Colleagues rely on him not only for deep theoretical insight but also for pragmatic HPC engineering—optimizing MPI/Global Arrays parallelism and guiding researchers to the right compute modalities. Based in Itzehoe, Germany, he pairs academic rigor from a PhD in theoretical chemistry with hands-on experience moving cutting-edge methods into production-scale research.
26 years of coding experience
16 years of employment as a software developer
Msc, Chemistry, Msc, Chemistry at Radboud UniversityBachelor of Applied Science - BASc, Chemical Engineering, Bachelor of Applied Science - BASc, Chemical Engineering at Hogeschool EindhovenPhD, Theoretical Chemistry, PhD, Theoretical Chemistry at Utrecht University
Dutch, German, English
Github Skills (98)
fenics10
density-functional-theory10
python10
computational-science10
windows10
computational-chemistry10
parallel-computing10
linux10
chemistry10
high-performance10
molecular-simulation10
package-manager10
quantum-chemistry10
upstream10
configurations10
Programming languages (8)
Github contributions (5)
hjjvandam/nwchem-1
Dec 2017 - Apr 2025
NWChem: Open Source High-Performance Computational Chemistry
Contributions:5 PRs, 392 pushes, 24 branches in 7 years 5 months
chemistrynwchemperformancecomputationalcomputational-chemistry
hjjvandam/DeepDriveMD-pipeline
May 2023 - Dec 2024
DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations
Contributions:87 pushes, 1 branch in 1 year 6 months
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