Postdoctoral Researcher (HANAMI) - Theory and Simulation Group per a l'ICN2 - Institut Català de Nanociència i Nanotecnologia

The post holder will become the central person in the collaborative effort described above. Work will involve interfacing ESM with the most modern versions of the SIESTA code, as well as benchmarking and optimization of SIESTA (including the ESM module) on the most important HPC infrastructures in Japan. Additionally, once the codes have been tested and validated, the work will involve performing simulations of materials for energy storage (batteries, supercapacitors), in collaboration with our partners in Japan (Prof. Minoru Otani).

The post holder will undertake the following tasks:

• Contribution to the design, implementation, testing and demonstration of new methodologies and algorithms for the study of electrochemical processes.
• Performing benchmarks in HPC machines in Japan and carrying optimizations to improve performance of the codes.
• Execution of simulations in top HPC facilities, both in Europe and Japan.
• Contribution to the writing of applications to HPC centres (including EuroHPC systems) in order to secure the computational resources needed.
• Travel to Japan. It is expected that the post holder will visit the group in Tsukuba, Japan for about 1 month per year of employment. The post holder will contribute to the writing of HANAMI travel grant applications (HANAMI travel funds are held by the coordinating institution and they are allocated through recurrent internal calls).
• Preparation of scientific reports, journal articles and software documentation.

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