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stakeholders. The work will be carried out at the Cefe in Montpellier (France; https://www.cefe.cnrs.fr ), in close collaboration with the IMB in Bordeaux (France; https://www.math.u-bordeaux.fr/ ; regular
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the dissertation, must be completed by the date of appointment. Demonstrated research experience with density functional theory or closely related first-principles atomistic simulation methods. Demonstrated research
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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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position within a Research Infrastructure? No Offer Description Activities and context: The fellow will develop machine-learning interatomic potentials (MLPs), trained on density functional theory-DFT data
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language models, reinforcement learning, agent learning, robotic control; (4) quantum materials simulation, density functional theory, catalysis and transition-state theory, molecular dynamics; (5
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, or foundation models. Familiarity with atomistic simulations (e.g., density functional theory, molecular dynamics). Interest in developing broadly applicable machine-learning methods for physical sciences
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highly desirable. Experience with computational methods such as density functional theory calculations, geometry optimization, and prediction of NMR parameters will be considered an advantage
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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