Computational Biomolecular Research
The Centre of Excellence for Computational Biomolecular Research (BioExcel) is currently running in its 3rd phase. BioExcel’s mission is to provide applications, tools, support, and networking opportunities to Life Science researchers, enabling them to address grand scientific challenges by fully exploiting the power of data and computing e-infrastructure. Powerful and sophisticated software packages are critically important for fundamental and applied research, including industrial development, in particular in the areas of drug design, biotechnology, food and chemical industries.
Improving the performance and scalability of major simulation packages for more efficient usage of HPC resources
Improving the usability of existing and devising new workflows and environments with associated data integration
Competence-building among both academia and industry through extensive training programs and promotion of best practices.
The CoE consortium is dedicated to establishing the centre as a long-term support structure for the needs of academic/non-profit and industrial users (pharmaceutical, chemical and food industries); ISVs and academic code developers; national and commercial resource providers.
FocusCoE at EuroHPC Summit Week 2022
With the support of the FocusCoE project, almost all European HPC Centres of Excellence (CoEs) participated once again in the EuroHPC Summit Week (EHPCSW) this year in Paris, France: the first EHPCSW in person since 2019’s event in Poland.
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.
FocusCoE Hosts Intel OneAPI Workshop for the EU HPC CoEs
On March 2, 2022 FocusCoE hosted Intel for a workshop introducing the oneAPI development environment. In all, over 40 researchers representing the EU HPC Centres of Excellence (CoEs) were able to attend the single day workshop to gain an overview of OneAPI.
CoEs at Teratec Forum 2021 and ISC21
With the support of FocusCoE, a number of HPC CoEs will give short presentations at the virtual PRACE booth in
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