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Field
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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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Theory (DFT) Microstructure prediction and evolution Secondary expertise in the following topics is desired but not required: Molecular dynamics Materials informatics Machine learning and artificial
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, post-processing homogenization, precipitation, and stress-relaxation. DFT simulations will be used to provide inputs needed for precipitation simulations. This modeling will rely on a range of
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species over another. Density functional theory (DFT) calculations assist in the rational design of new materials by providing quantitative results on the stability of the framework and the binding energies
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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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be possible; and modeling results will be used to interpret experimental data and to guide subsequent experimental work. key words DFT; 2D materials; Electronic devices; Simulation; Transport
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DFT, beyond-DFT, and experimental techniques. We are also interested in developing both forward and inverse machine learning models to accelerate and optimize the design processes. We work in close
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packaging solutions for semiconductor devices. Develop and support TIE's 3D-ADK (Assembly Design Kit). Interpret fab metrology, defect, E-test yield, and evaluate silicon-to-simulation correlation accuracies