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Field
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representation theory, simple perturbation theory, and similar analytical tools. Molecular dynamics of semiconductor-oxide interface. Numerical simulations of the oxide condensation process based on force-field
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of molecular reactions occurring at the surface of various materials. In addition, computational fluid dynamics (CFD) simulations combined with microkinetic modeling will be carried out to study the heat
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skills while guiding undergraduate and graduate students; About the project During our lifetimes, we copy approximately a lightyear’s worth of DNA, and how the different components of the molecular
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Hydrogen is expected to play a key role in the energy and fuel mix of future sustainable transport systems. However, due to its small and light molecular structure, hydrogen exhibits significantly
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molecular dynamics and path integral simulation methods, machine learning techniques, and electronic structure techniques. Additional background in statistical mechanics and deep eutectic solvents is highly
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methods such as Density Functional Theory (DFT) and Molecular Dynamics (MD), and, optionally, in X-ray scattering or diffraction.For more information and to apply, please submit a cover letter, CV and a
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. Strong knowledge of heterogeneous catalysis and computational chemistry. Experience with computational modeling (i,e, DFT, and/or molecular dynamics). Familiarity with software such as Material Studio
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graduate students; About the project During our lifetimes, we copy approximately a lightyear’s worth of DNA, and how the different components of the molecular machinery (the replisome) work together to
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thereafter. The project Currently, plant ingredients are often refined to almost molecular purity - and then combined again to create structured foods. This isolation is resource intensive, and the removal
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, molecular dynamics simulations using ab initio and machine-learning potentials, and the development or application of machine-learning tools for feature extraction, property prediction, and inverse molecular