Each of the CoE Use Cases below is a summary of a concrete case where the codes and machines of the CoEs are used to get state-of-the-art solutions of typical domain-specific problems.
All of the Use Cases show the power of the HPC resources in a real-world context and may inspire users for their specific application cases.
BioExcel: Electronic Interaction Phenomena: Proton Dynamics and Fluorescent Proteins
Proton Dynamics Mass spectrometry has revolutionized proteomics, i.e. the investigation of the myriad of protein/protein interactions in the cell. By using a very small sample content of proteins (usually in the micromolar concentration), a powerful implementation of the technique, so-called ionization/ion mobility mass spectrometry (ESI/IM-MS), can measure stoichiometry, shape and subunit architecture of protein and protein complexes in the gas phase.
EoCoE: Performance Portability on HPC Accelerator Architectures with Modern Techniques: The ParFlow Blueprint
Performance Portability on HPC Accelerator Architectures with Modern Techniques: The ParFlow Blueprint A Use Case by Short description Rapidly changing heterogeneous supercomputer architectures pose a great challenge to many scientific
ESiWACE: OBLIMAP ice sheet model coupler parallelization and optimization
The goal of this use case is to reduce the memory footprint of the code by improving its distribution over parallel tasks, and to resolve the I/O bottleneck by implementing parallel reading and writing.
ESiWACE: GPU Optimizations for Atmospheric Chemical Kinetics
The goal of this use case is to reduce the memory footprint of the EMAC code in the GPU device, thereby allowing more MPI tasks to be run concurrently on the same hardware.
CompBioMed: In silico trials for effects of COVID-19 drugs on heart
The use case assesses the impact of certain COVID-19 drugs on a human heart population
CompBioMed: CT2S – Digital twin application for patient treatment & Bone Strength: In Silico trials solution
One major goal of this use case is to develop an efficient digital twin solution for the estimation of long bone fracture risk in elderly patients.
CompBioMed: Strong scaling performance for human scale blood-flow modelling
The objectives of this use case were to demonstrate and assess the strong scaling performance of HemeLB to the largest core counts possible, and to demonstrate the ability of HemeLB to utilise this performance to study flows on human-scale vasculatures.
CoEC: Fuel atomization and evaporation in practical applications
The use case includes the study of primary and secondary breakup, and the influence of heat conduction and droplet heating on the evaporation rates prior combustion takes place. The final objective will be the study of reacting sprays at relevant engine conditions.
CoEC: Plasma assisted combustion
The application of plasma in combustion simulations provides an unprecedented opportunity for combustion and emission control. This use case is focused on the study of plasma-assisted combustion by Nanosecond Repetitively Pulsed (NRP) discharges in order to control the formation of combustion instabilities and pollutant formation.
CoEC: Detailed chemistry DNS calculation of turbulent hydrogen and hydrogen-blends combustion
The use cases focuses on the study of thermo-diffusive instabilities in turbulent lean hydrogen flames and its effects on burning velocities, unstable combustion and noise.
ESiWACE: DYAMOND intercomparison project for storm-resolving global weather and climate models
By supporting the DYAMOND intercomparison of storm-resolving global weather and climate models, ESiWACE facilitates the development of these next-generation models, and advances climate science. The intercomparison allows to identify common features and model-specific behaviour, and thus yields new scientific discoveries and increases the robustness of our knowledge and the models.
CoEC: Prediction of pollutants and design of low-emission burners
This use case is aiming at optimizing burner performance in terms of pollutant emissions, making use of large-scale simulations.