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magic-angle spinning experiments, multinuclear NMR, quadrupolar nuclei, or two-dimensional NMR methods, is highly desirable. Experience with computational methods such as density functional theory
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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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journals and present research findings at professional meetings; Co-advise graduate and undergraduate researchers as appropriate. Minimum Qualifications: Demonstrated expertise in density functional theory
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of spintronics. Complemented with density functional theory (DFT) calculations to build scientific and technical competence as well as strengthen transferrable skills, this position provides you with the skills
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functional theory studies of nanoparticles, surfaces, or bulk materials; Chemical reaction modeling and/or enhanced sampling (NEB, metadynamics, microkinetic modeling, etc.); Molecular dynamics simulations
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simulations, density functional theory (DFT), molecular simulations, or machine-learning potentials. Experience with generative AI, active learning, uncertainty quantification, Bayesian optimization
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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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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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. Experience with atomistic simulations, density functional theory (DFT), molecular simulations, or machine-learning potentials. Experience with generative AI, active learning, uncertainty quantification
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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