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(with GROMACS, OPENMM, LAMMPS, NAMD, AMBER, etc.) at the atomistic or coarse-grained level would are advantageous. Good communication and interpersonal skills Motivation and a collaborative mindset What
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) Atomistic classical simulations of macromolecules (v) Biophysics. You can write computer codes to solve some of the daily research problems and have experience with high performance computing. You should have
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mechanisms occurring in these materials and their synthesis over all relevant length scales (e.g., cutting-edge ab initio methods, atomistic simulation methods, multi-scale modelling, machine learning) High
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for the new green steels compositions, including impurities and tramp elements. These models should enable density-functional-theory (DFT) accurate large scale atomistic simulations of defects including
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challenging, and new theoretical methods and algorithms are required. The research project aims at deriving priors for Bayesian methods from atomistic simulations and machine learning. It also offers
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combining: Molecular synthesis Electrical contacting of nanoscale electronics Modelling of properties on an atomistic level The IHRS NanoNet offers an international scientific environment and an excellent