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functional theory (DFT)-based approaches, coupled with effective continuum and/or tight-binding models derived from first-principles calculations. The project is part of a large, multi-institution
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Physics, Materials Science, Chemistry, Chemical Engineering, Applied Physics, or a closely related field with a focus on computational materials modeling. Density Functional Theory (DFT) for surfaces and
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deposition (ALD). The project involves performing quantum mechanical calculations (e.g., first principles density functional theory (DFT)) to identify the structures and to understand the complex mechanisms
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