Research: HPC, digital twins and research infrastructures

My research is about making demanding simulations and data workflows run efficiently, sustainably and reproducibly on production research infrastructures. This page groups it into five themes, each with selected publications, software and projects. The complete lists are under Publications, Software and Scientific grants.

Performance, scalability and energy-aware HPC

I study how scientific applications behave on modern CPU and GPU architectures: profiling them, modelling the trade-off between execution time and energy, and optimising them for production systems. Recent work covers CFD codes on AMD EPYC clusters, multi-card GPU machine-learning jobs and Python-based applications on HPC systems.

Selected publications

Software: Quare, a framework for analysing application performance-profiling data. Project deliverables on benchmarking and optimisation: HiDALGO2 and HiDALGO.

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Digital twins and large-scale environmental simulation

I work on coupling simulation models with data analytics so that environmental and global-challenge applications can run at scale and be operated as services: urban air quality, building energy, renewable energy, wildfire propagation and water-borne material transport. Since 2024 I also co-organise the AGCA workshop series at PPAM, which focuses on advancements of such applications.

Selected publications

Projects: HiDALGO2 (principal investigator), HiDALGO (quality manager, work package leader), CoeGSS (work package leader); deliverables are listed under Reports. Workshops: AGCA @ PPAM.

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HPC–HPDA–AI workflows and data management

Beyond raw performance, I work on how data, AI and HPC fit together in practice: allocating image-recognition and LLM tasks across multi-GPU systems, fusing open geodata for analysis on HPC, and moving datasets between data portals and HPC storage so that research data stays citable and reproducible.

Selected publications

Software: Qumasc, CKAN2HPC-Client and CKAN-Zenodo-Exporter. Project: MARVEL (HPC infrastructure and resource management for audio-visual data analytics; deliverable D5.3).

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Scheduling theory: divisible load

My doctoral work (Poznań University of Technology, 2006) concerned scheduling of divisible loads, that is, arbitrarily splittable workloads, on parallel and distributed systems with limited memory. The theory remains the basis for the scheduling tools I build today.

Selected publications

Software: DLT Studio, the solver library behind the DLT Portal (DOI 10.5281/zenodo.23299701).

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Research infrastructures for science

For over two decades I have helped build the infrastructures scientists use: virtual laboratories giving remote and interactive access to instruments in grid environments, e-infrastructure policy work, and digital repositories of natural history collections with analytical tools and data exchange with GBIF.

Selected publications

Projects: DORII (work package leader), RINGrid (deputy principal investigator), EXPReS, e-IRGSP5 (work package leader), AMUNATCOLL (technical coordinator). Software: AMUNATCOLL IT, CollMan.

White papers and reports for the e-Infrastructure Reflection Group (e-IRG)

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