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. Demonstrated experience in performing simulations at the atomic-scale, such as density functional theory (e.g. VASP, Ab-init, Quantum espresso), molecular dynamics (e.g. LAMMPS, DL-POLY), development of inter
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experience. Strong coding skills in commonly used scientific languages (e.g. Python, Matlab, shell script, C) Demonstrated experience in performing simulations at the atomic-scale, including density functional
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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
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techniques and associated tools (examples include, but are not limited to machine learning, density-functional-theory, materials informatics, finite-element modelling, phase-field modelling), and demonstrated