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. An ideal candidate should have experience in modeling electrochemical reactions on surfaces and interfaces using first-principles density functional theory (DFT), grand canonical DFT (GC-DFT
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well as with theoretical researchers specializing in atomistic simulation, density functional theory (DFT), and ab initio molecular dynamics (AIMD). The successful candidate will also engage with collaborators
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of Quantum Monte Carlo (QMCPACK, PYQMC) density functional theory (e.g. QE, VASP, PYSCF) and associated models to describe various properties of DOE-relevant quantum materials. The Materials Theory Group has a
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systems at various scales, for example using ab initio electronic structure methods like density-functional theory, developing interatomic potentials with various methodologies including machine learning
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complex magnets via interpretable machine-learning models, and develop improved AI models that can accelerate prediction of new synthesizable magnet candidates with high energy density and critical
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. South Carolina Retirement Yes State Insurance Programs Yes Annual Leave Yes Sick Leave Yes Position Description Advertised Job Summary A postdoctoral scholar will work on combining density functional