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-to-olefins, syngas-to-olefins) involve the production of hydrocarbons from renewable raw materials. In addition to periodic density functional theory (DFT), ab initio methods and molecular dynamics (MD
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, justice, kindness, and curiosity and are committed to the ethical practice of science; • Are familiar with atomistic simulation techniques, including but not limited to density functional theory and
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density matter , High Energy Experimental , High Energy Physics , high energy physics or mathematical physics , High Energy Theory , High Energy Theory Group , High Performance Computing , Holographic
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large-scale MD simulations, ideally with LAMMPS, demonstrated via corresponding roles in publications Experience with density functional theory (DFT) calculations, ideally with VASP, demonstrated via