Research and software
Projects
Research on molecular quantum computing, supported by tools that make experimental results easier to inspect, reproduce and reuse.
Current research
EQeS
Evaluierung von Quantencomputerressourcen für elektronische Strukturberechnungen. The project evaluates quantum-computing resources for electronic-structure calculations at application level.
My work uses controlled molecular VQE calculations to study how hardware choice, circuit mapping, shot count, resilience and execution strategy affect accuracy, runtime and cost. The aim is to provide evidence that is useful to researchers planning real quantum-hardware experiments.
BMFTR
Funded by the German Federal Ministry of Research, Technology and Space.
13N17338
Contract within the Research Program Quantum Systems.
Quantum Now
IBM Quantum access through the Fraunhofer internal programme.
Supporting project within EQeS
MolQBench
MolQBench turns molecular quantum-computing results into structured scientific records. It connects calculations with methods, hardware settings, provenance, publications and versioned dataset releases.
The first complete dataset is now published on Zenodo with calculation settings, hardware results and retained optimization traces. MolQBench provides an interactive view of this citable release.
Benchmark tracks
Reference H2 workflows
A controlled reference problem for measuring accuracy, cost, backend variability, mapping overhead and runtime behaviour on IBM quantum processors.
Beyond H2
Extending the same evidence-driven approach to larger molecular systems and active-space choices. This work is in progress.