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Institute for Advanced Simulation (IAS)

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Collaborations

German groups and institutions

  • Institute for Theoretical Solid State Physics, — RWTH Aachen University. Contact: Prof. Dr. C. Honerkamp
    Research on HPC algorithms within the functional Renormalization Group (fRG) framework. Spearheading the transistion of the fRG community into the HPC realm. Development of an adaptive integration scheme — PAID — for the use in fRG codes.
  • High-Performance and Automatic Computing (HPAC) — RWTH Aachen University. Contact: Prof. P. Bientinesi Ph.D.
    Research on HPC and high-performance algorithms. HPAC hosts S. Achilles and J. Winkelmann. Further ongoing collaboration areas include high-performance tensor operations.
  • Sustainable Photovoltaics – Foundations and Technology (IEK-5) — Forschungszentrum Jülich. Contact: Dr. U. Aeberhard
    Parallelization and optmization of the PVnegf code.
  • Nuclear Waste Management and Reactor Safety (IEK-6) — Forschungszentrum Jülich. Contact: Dr. P. Kowalski
    Research based on the application of Machine Learning techniques to investigate physical and chemical properties of functional materials used in nuclear waste storage.
  • Quantum Theory of Materials (PGI-1) — Forschungszentrum Jülich. Contact: Prof. Dr. S. Blügel
    Improvement of the performance of juDFT codes such as development of specialized eigensolvers, efficient setup of Hamiltonian and overlap matrix, and convergence acceleration of self-consistent field methods.

International groups and institutions

  • Schleife group — Department of Materials Science and Engineering University of Illinois at Urbana-Champaign. Contact: Prof. Dr. A. Schleife
    Integration of ChASE eigensolver in simulation software based on the Bethe-Salpeter Equation.
  • Department of Mathematics — University of Zagreb. Contact: Prof. S. Singer
    Research on innovative algorithms for the initialization and solution of generalized Hermitian eigenvalue problems.
  • Oak Ridge National Laboratory. Contact: Dr. M. Eisenbach.
    Research on linear scaling Korringa-Kohn-Rostoker multiple scattering methods
  • University of Tsukuba. Contact: Prof. T. Ono.
    Research on real-space grid based DFT methods for large-scale calculations.

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