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duties, up to a maximum of 20 per cent of full-time. Your research focus will be on models and simulations of reactive gas flows, with applications in thin film depositions. Thin films form the basis
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Qualifications Familiar with Ab-initio calculation packages (VASP(plane wave basis set), JAGUAR(Gaussian basis sets), CRYSTAL(hybrid DFT with Gaussian basis sets)), MD simulation software (LAMMPS), bond-detecting
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experience in DFT and AIMD simulations is required. The candidate is expected to work across RMIT and CSIRO (Clayton). Applicants who meet the eligibility criteria and must enrol by December 2024.
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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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that dynamically alter the detrapping and recombination probabilities. The aim of this project is to overcome these limitations by developing a Monte Carlo simulation model that treats each charge carrier and its
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to analyze crystallographic data and model electronic structures in complex materials. The work involves creating code for processing diffuse scattering data, performing density functional theory (DFT