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derived from paramagnetic ions, as well as the modelling of molecular diffusion processes through membranes, by means of molecular dynamics studies. Different parameters that will affect the relaxivity
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(DFT) packages and in-house quantum transport codes. Fully converged simulations from established databases will serve as ground-truth benchmarks. In parallel, the same optimisation principles will be
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of this grant. In addition, those researchers whose place of residence, at the time of their application, is Tenerife will not be able to benefit either. Selection process The selection process consists of two
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and R&D into both computer and computational science (life, earth and engineering sciences) under one roof, and currently has over 1000 staff from 60 countries. Look at the BSC experience: BSC-CNS
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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