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different types of simulations at different scales. For the atomic level, you will use atomistic molecular dynamics simulations, which are so expensive computationally that supercomputers are needed
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the underlying principles. For us, it is equally important to study the impact of materials on biological processes as well as the impact of biological processes on materials. Our ambition is to foster a dynamic
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performing atomistic simulations with Density Functional Theory and Molecular Dynamics. Data analysis and coarse graining in order to provide parametrisations for upper scale models (Kinetic Monte Carlo and