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and machine learning with density functional theory, or other similarly relevant computational methods, to advance understanding of materials design predictions for 2D and 3D systems with electronic and
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: Postdoctoral Researcher - College of Engineering Position Type: Faculty Location: Villanova, PA Recruitment Type: Internal/External Applicants Work Schedule: full-time/12-months Department: 959-Center for Energy
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economy. As a postdoctoral researcher, you will unravel how silicon suppresses liquid copper infiltration at the atomic scale, using density functional theory-accurate machine-learned potentials and
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at the atomic scale, using density functional theory-accurate machine-learned potentials and molecular dynamics simulations, in close collaboration with leading European research institutes and steel industry
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National Energy Technology Laboratory (NETL) | Pittsburgh, Pennsylvania | United States | about 3 hours ago
computational physics, chemistry, and materials science. Research experience involving density functional theory and ML simulations and is Familiarity with software packages such VASP, CP2K, Gaussian, Scikit
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National Energy Technology Laboratory (NETL) | Morgantown, West Virginia | United States | about 3 hours ago
Organization National Energy Technology Laboratory (NETL) Reference Code NETL-PIP-2026-Shekhawat How to Apply A complete application consists of: An application, including academic history, work
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will participate in conducting multiscale modeling such as quantum mechanics density functional theory calculations, molecular dynamics simulations, Monte Carlo simulations, and/or machine learning
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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