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molecular simulation techniques, specifically density functional theory (DFT) and molecular dynamics (MD) simulations. You are keen to learn new techniques for the development of machine learning interatomic
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) for a multi-component Fe alloy system, enabling predictive molecular dynamics (MD) simulations capable of probing hydrogen diffusion and trapping at interfaces in the presence of tramp elements with near
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that continuously probe complex nucleic acids: that’s your challenge! Information Nanoswitch sensors are nanometer-scale constructs that change their configuration upon molecular binding and enable the continuous
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Molecular Biosensing and the Protein Engineering research groups at TU/e (see www.tue.nl/mbx and https://merkxlab.nl/ ). Their fields of expertise on continuous biosensing and protein engineering are
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. To fill-in this gap, you will use hierarchical molecular simulations to produce high quality thermodynamic, transport, and kinetic data that can be used for multiscale model development. We will focus both
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, Physics, Materials Science, or a related discipline. Strong background in condensed matter theory, electronic structure methods, many-body physics, and molecular simulations. Knowledge of magnetism and open