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  • Home
  • About TYC
    • Who was Thomas Young?
    • Governance
    • Equality, diversity and inclusion
      • TYC Women
      • Women in High Performance Computing (WHPC)
    • TYC partners
      • Materials & Molecular Modelling Hub (MMM Hub)
      • JC Maxwell
      • Psi-k
    • Cookie Policy
  • Courses
    • TYC Materials Modelling Course
  • Research
    • Research
      • Research Highlights
    • People
    • Sabbatical visits
  • Industry
    • Working with industry
      • Environment and sustainability
      • Energy & power generation
      • High value manufacturing
      • Healthcare
      • Minerals and mining
      • Chemical industry
      • Defence and aerospace
    • Industry associations
  • Opportunities
    • Opportunities
    • PhD Projects
    • Jobs
    • Early Career Award
    • Early Career Researchers’ Forum
    • Junior Research Fellowship Scheme
    • TYC Journal Club
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Software solutions to the challenges of materials modelling Share on X Software solutions to the challenges of materials modelling Share on X

09:00 – 12:00 (UK time) Technology and Partner sessions (UCL, HPE & NVIDIA) chaired by Owain Kenway – UCL

Recording: Introduction to the MMM Hub GPU Training Day – Owain Kenway, UCL
Recording: HPE HPC/AI EMEA Research Lab – Tim Dykes, HPE
Recording: Overview of the new MMM Hub system – Owain Kenway, UCL
Recording: HPE CRAY Programming Environment – Tim Dykes, HPE
Recording: Multi-GPU programming with MPI and NCCL – Jiri Kraus, NVIDIA
Recording: Developer Tools: Nsight Product Review – Sanjiv Satoor, NVIDIA


13:00 – 16:00 (UK time) Materials community codes, experiences & lessons learned (invited speakers) chaired by Filippo Spiga – NVIDIA

Recording: Tools and Techniques to port codes on GPU – Introduction by Filippo Spiga, NVIDIA
Recording: Tools & Techniques to port CASTEP – Phil Hasnip, York
Recording: Lessons learned from porting VASP to GPUs – Stefan Maintz, NVIDIA
Recording: Current state of CP2K on GPU – Matthieu Talletumier, CSCS
Recording: Challenges and lesons from using GPUs in GSGW – Dimitar Pashov, King’s College London
Recording: Getting QMCpack ready to model material properties at Exascale – Ye Luo, Argonne National Laboratories

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