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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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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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into hydrogen and nitrogen under practical onboard conditions. Successful candidate will develop and apply computational methods, such as density functional theory based atomistic modelling and machine learning
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into hydrogen and nitrogen under practical onboard conditions. Successful candidate will develop and apply computational methods, such as density functional theory based atomistic modelling and machine learning
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(CFD), including chemical reaction models, but could also involve other modeling methods such as Density Functional Theory (DFT) or kinetic Monte Carlo. Your qualifications You have graduated at Master’s
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will be put on the effect of structural defects on the electronic properties of the investigated heterojunctions. While we will mainly use density functional theory (DFT) to achieve these goals, we will
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for the new green steels compositions, including impurities and tramp elements. These models should enable density-functional-theory (DFT) accurate large scale atomistic simulations of defects including
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density-functional-theory (DFT) accurate large scale atomistic simulations of defects including dislocations, grain boundaries and precipitates, as well as phase diagrams exploration. A key challenge faced
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pathway. Additionally, finite element theoretical modelling and density functional theory calculations will be used to further increase our understanding of the photo-reduction mechanism. Correlating
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sensing, to improve worker/operator safety. This project will focus on using density functional theory calculations and ab initio molecular dynamics simulations. The project is a collaboration with Dr