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energy density matter , High Energy Experimental , High Energy Physics , high energy physics or mathematical physics , High Energy Theory , High Energy Theory Group , High Performance Computing
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focus of their work is the role of protein dynamics and quantum mechanics during enzyme catalysis. Much of the work involves computational chemistry, often combing molecular dynamics (MD) simulations with
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programming and scientific computing Prior experience or coursework in density functional theory, molecular dynamics, or machine learning is advantageous Effective communication skills in English Interest in
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optoelectronics, energy materials, and molecular systems. The student will work on automating key steps in Density Functional Theory (DFT) workflows, such as structural optimization, electronic ground-state
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functional theory – a molecular-scale continuum description of inhomogeneous systems – in process design and, therefore, to fuse the scales from molecules to processes. To overcome the computational challenge
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): Molecular dynamics (MD) and Density Functional Theory (DFT); Protein engineering; Aptamer design/optimisation; Molecular biology; Graphene. DC13: Structural engineering of bioreceptors for graphene. Engineer