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Field
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collide, condense and evaporate. Guided by the results from the field campaigns, a new Microphysics Informed Large-Eddy-Simulation (MiLES) model will be developed. The tested and verified MiLES will be
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predictive MD simulations capable of resolving atomic-scale LCI mechanisms with near-DFT accuracy Investigate how silicon suppresses LCI, including its effects on grain boundary site competition and the
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development of a Density Functional Theory (DFT)-accurate machine-learned interatomic potential (MLIP) for the multi-component steel system of interest. Ultimately, this simulation-driven framework will allow
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Are you eager to perform quantum simulations in a lively, international research group? Do you enjoy creating complex machines that have never existed before? Do you want to explore physics
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Help accelerate the electrification of industry by combining molecular and process-scale simulations for high-temperature thermal energy storage. Job description Carbon-based chemicals are essential
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reactions, catalyst surfaces and interfaces, reaction mechanisms, activity and selectivity develop reproducible atomistic simulation and high-throughput workflows using Python, ASE and relevant DFT software
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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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The Princeton University Department of Chemistry seeks to hire a postdoctoral researcher for an appointment in Prof. Herschel Rabitz's laboratory. This job posting was previously posted as D-25-CHM-00003. The successful candidate will adapt a dual-frequency comb laser for use in conjunction...
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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