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Partner Programme with the University of Tsukuba

The main objective of this Japanese-German Partner programme is to promote the development of applications for large-scale electronic structure calculations in the framework of density functional theory (DFT). DFT is one of the workhorse methods in materials science and solid state research and has been widely applied to physical problems where electronic, magnetic, structural or transport properties or even a mixture of those are important.
The application of DFT to realistic materials requires, on the one hand, HPC resources and, on the other hand, implementations that can efficiently leverage current HPC systems.

In particular the scalability of eigenvalue solver algorithms is of crucial importance for DFT applications based on wavefunctions. Implementations of real-space grid-based DFT applications have been developed by Prof. Tomoya Ono (Uni Kobe, formerly Uni Tsukuba) and Dr. Paul Baumeister (JSC, formerly PGI-1) in collaboration. Augmentation and algorithmic acceleration of these applications by advanced eigenvalue solvers as developed in the group of Prof. Sakurai (Uni Tsukuba) are, in particular for transport calculations, promising to push the frontiers of what is currently investigated.


Forschungszentrum Jülich GmbH, Germany
Project Coordinator
The contact person is Paul Baumeister

University of Tsukuba, Tsukuba, Ibaraki-ken, Japan
Coordinator and contact person,
Prof. Tetsuya Sakurai, Center for Artificial Intelligence Research, Department of Computer Science

The partner programme is supported by the German Academic Exchange Service (DAAD) under the grant ID 57393879.

The grant period is January 2018 until December 2019.