Welcome and introduction round (NHR centers and consultants at universities)

Presentations on highlight topics:

• communication ways, mailing lists (mailing lists, chats, etc)
• NHR groups
  • training, AI webinar+Q&A
  • performance engineering, container
  • security, AAI, HPC consultant networks
  • ASC, Computational Physics Center
  • etc.
• Zentralprojekte, NHR funding
• JupyterHub in NHR

Miscellaneous

• support work
• PR, workshops, courses, etc.

Computational Life Sciences (Matthias Läuter, Anita Ragyanszki, ZIB) in Lecture Hall 1

• talks
  • Opening, Anita Ragyanszki
  • Agent-based simulation of trail formation, Felix Höfling
  • Excitations in organic and inorganic compounds, Ronaldo Rodrigues Pela
  • tbatbd, Marcus Weber
  • Life Sciences at NHR@Göttingen, Martin Leandro Paleico
  • Machine Learning Coarse-grain, Bottom-up, Protein Force Fields, Nicholas Charron
  • Understanding the Origins of Life using Machine Learning methods, Anita Ragyanszki
  • Life Sciences at ZIB, Matthias Läuter
• session topics
  • local priorities and expertise,
  • expectations and future plans,
  • codes: software currently supported or planned to be, software licences,
  • possible collaboration,
    
  • keywords: biochemistry, biophysics, bioinformatics, molecular genetics, structural biology, atomistic simulations of biomolecules.
    

Digital Humanities (Johannes Biermann, GWDG)

• introduction about possible HPC usage for digital humanities
• Open discussion about items that digital humanities need on HPC
  • Training on how to use HPC and how to optimse their workflow for parallel computation 
  • GPUs
  • Specific GPUs for prepared language models 
  • Python environments
  • Singularity container
  • Courses on HPC with Jupyter notebooks
  • download of external data and shared directories

Physics/Chemistry (Robert Schade, PC2) in Seminar Room 4

• Introduction of personnel with code/research areas
• organization of support
• activities in the context of the atomistic simulation center and center for computational physics
• events/workshops/courses/symposia in the context of the Atomistic Simulation Center (ASC) and Center for Computational Physics (CCCP)
• get-together in ASC and CCCP
• software licenses
• PE/physics and/or chemistry
• software licenses
• performance engineering and research activities for physics/chemistry codes
• QC quantum computing activities

Computational Fluid Dynamics (Patrick Höhn, Uni Göttingen)

• Introduction of participants with competences / research areas
• Conferences, courses, activities in CFD related topics
• Open discussion
  • Challenges in installation of simulation software
  • Apptainers for bringing own code
  • CFD on GPUs
  • Other support challenges

Your session → please contact us!