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, Physics, Materials Science, or a related field Three or more years of postdoctoral experience Strong background in first-principles density functional theory calculations, particularly simulations of light
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NIST only participates in the February and August reviews. First principles calculations, usually based on density functional theory (DFT), are a crucial aspect of modern materials physics research
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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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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 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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. Advisers name email phone Carelyn E. Campbell [email protected] 301.975.4920 Description First principles electronic structure methods such as density functional theory (DFT) are crucial
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that operate at room temperature. In this project, Density Functional Theory (DFT) calculations will be used to simulate defect structures of h-BN, like substitutional, vacancy and interstitial defects
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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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for scientific excellence through teamwork and combined theoretical and experimental efforts. The theoretical activities at Chemical Physics focus on electronic structure calculations within the density functional
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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