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MLIPs and DFT workflows (e.g., VASP, atomate2). Experience running and scaling simulations on HPC. Broad knowledge of solid-state materials science. Ability to work independently within a large multi
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functional theory (DFT) calculations of NMR parameters, powder X-ray diffraction, and other complementary analytical techniques. The postdoctoral researcher will be responsible for planning and conducting
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Responsibilities Theory Quantum transport modeling using NEGF; first-principles materials and interface calculations using DFT (VASP, Quantum ESPRESSO, or equivalent). Atomistic spin dynamics
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, please contact Duy Le at [email protected]. Responsibilities: The Postdoctoral Associate’s Responsibilities include but are not limited to: Performing computational modeling using DFT, GC-DFT, MD (AIMD
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field. Strong computational chemistry background in atomistic simulations, electronic-structure theory, DFT, structure-property relationships, and interpretation of simulation results. Hands-on experience
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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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Postdoctoral Research Associate- AI/ML Accelerated Theory Modeling & Simulation for Microelectronics
for model refinement. Perform multi-scale simulations (e.g. DFT / atomistic / phase-field simulations) to train AI/ML models. Conduct scientific research on ferroelectrics and/or 2D memristive materials
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molecular systems. Method development, potentially in the realm of time-dependent current DFT, will likely also be required as we learn about physical phenomena underlying the CISS effect. Bhat group