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) transport; • Are familiar with chemical simulation techniques, including but not limited to density functional theory, molecular dynamics, (kinetic) Monte Carlo modeling, finite-element modeling, and multi
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related field are particularly encouraged to apply.We seek candidates with expertise in some or all the following areas: density functional theory, deep learning, high-throughput simulations, molecular
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Brandenburgische Technische Universität Cottbus | Senftenberg, Brandenburg | Germany | about 2 months ago
on the Senftenberg campus. The position is of particular interest to candidates with expertise in density functional theory and hybrid density functionals, semi-empirical quantum chemistry methods electron dynamics
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Scikit-learn, PyTorch, Openbabel, and RDKit packages. Experience with density functional theory (DFT) calculations. Experience with version control GitHub repositories, and Unix/Linux supercomputing
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experimental approaches, with theoretical activities focusing on: Quantum mechanical calculations using density functional theory. Mean-field modeling and Monte Carlo simulations for reaction kinetics
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will employ scattering theory to separate the effects of wave scattering and anelastic attenuation on seismic wave propagation. You will use state-of-the-art inversion techniques to image the spatial
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, Physics, Computational Chemistry, Nanoscience, Chemical Engineering, or a related field. Strong background in modelling (electro)catalytic processes using periodic density functional theory (DFT) is
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, chemistry, computational science, or a related field. Strong expertise in at least two of the following: density functional theory (DFT)/many-body methods, molecular dynamics (MD), machine learning (ML
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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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apply density functional theory and other theoretical methods to understand and support experimental research related to hydrogen production and storage. Central to our approach is close cooperation