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to) SIESTA (www.siesta-project.org) and its TranSIESTA functionality. SIESTA is a multipurpose first-principles method and program, based on Density Functional Theory, which can be used to describe the atomic
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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
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