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-to-olefins, syngas-to-olefins) involve the production of hydrocarbons from renewable raw materials. In addition to periodic density functional theory (DFT), ab initio methods and molecular dynamics (MD
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looking for an outstanding candidate for a PhD researcher position focusing on quantum error correction and quantum information theory. The successful candidate will work under the supervision of Hsuan-Yin
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interatomic-potentials (MLIPs), refined for molten salt mixtures hosting other nuclear material solutes. We will perform density functional theory (DFT) calculations and molecular dynamics (MD) simulations
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to either first-principles calculations or AI supported database management of high-throughput type calculations/simulations. Basic knowledge of density functional theory (DFT) is beneficial. Strong
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experimental approaches, with theoretical activities focusing on: Quantum mechanical calculations using density functional theory. Mean-field modeling and Monte Carlo simulations for reaction kinetics
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focusing on: Quantum mechanical calculations using density functional theory. Mean-field modeling and Monte Carlo simulations for reaction kinetics. Theoretical spectroscopy By combining quantum mechanical
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). On the other hand, fuel cells have been more popular in recent years, especially in transportation applications due to their high energy density and capability to operate in a wide temperature range. To have
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, justice, kindness, and curiosity and are committed to the ethical practice of science; • Are familiar with atomistic simulation techniques, including but not limited to density functional theory and
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density matter , High Energy Experimental , High Energy Physics , high energy physics or mathematical physics , High Energy Theory , High Energy Theory Group , High Performance Computing , Holographic
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Summary Electrical machines are the workhorses of modern industry. Thus, electrical machines are facing challenges in meeting very demanding performance metrics, for example, high specific power