BioExcel CoE Newsletter #16

Dear reader,

After years of hard but fruitful work, BioExcel is excited to announce that we have secured even larger funding for additional 3 years of operations.

It has been challenging to start from scratch. We were implementing cutting-edge computational technologies while removing complexity and improving usability of the codes; bringing together fragmented communities while providing tailored in-depth support; driving academic research while addressing industry specific needs. These were all difficult tasks. But we believe that at least to some extend we were able to help all of you with your work, your codes, your science. And our mission is not finished.

In the coming years, BioExcel will continue to:
  • push the performance, efficiency, scalability, and usability of several key software packages on high-end compute systems, including exascale – GROMACS, HADDOCK, CP2K, PMX; engage in extensive co-design activities with HPC vendors and system developers
  • improve the usability of existing applications and tools to support the convergence of high-performance computing (HPC), high-throughput computing (HTC), and high-performance data analytics (HPDA) via the development of workflows combining HPC simulations with data management and analytics;
  • significantly expand the range of training, commercial applications and services that are offered;
  • make publications, libraries, workflows, codes, and training material developed by us available via open-source and open-access principles
  • continue to collaborate with international initiatives to strengthen the links between related research communities and leverage worldwide expertise
  • make BioExcel sustainable so that researchers in academia and industry can rely on having access to the centre’s resources in the long term
Our team has grown and now we have representatives in Sweden, Germany, the Netherlands, Norway, Malta, Spain, Finland and the UK who are happy to provide guidance and assistance with your work. There are many opportunities for support, joint activities, and collaborations. We look forward to hear from you!

Rossen Apostolov
BioExcel Executive Director