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Perspectives and challenges of future high-performance computing for atomistic and molecular simulations

Feb 19, 2024 - Feb 21, 2024

CECAM Flagship Workshop

An interdisciplinary platform for researchers, software engineers, and hardware specialists

  • Highlights in classical molecular simulations
  • Advances in quantum mechanical modelling
  • Hybrid QM/MM methods and their applications
  • Algorithms and co-design for novel hardware
  • Parallel programming models
  • Technological trends & new computing paradigms

Organisers: Felix Höfling, Petra Imhof, Thomas D. Kühne
(for the Atomistic Simulation Center of the NHR Alliance)

For more information see here.

The event is supported by funds of Freien Universität Berlin and of the National High-Performance Computing (NHR) Alliance.

High-performance computing in atomistic and molecular simulation

High-performance computing in atomistic and molecular simulation
Image Credit: F. Höfling, freepik

Time & Location

Feb 19, 2024 - Feb 21, 2024

Zuse Institute Berlin