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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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, reaction kinetics and dynamics, and theory/simulation of ultrafast time-resolved experiments. will be a part of the Physical Chemistry section at DTU Chemistry (https://www.kemi.dtu.dk/english/research
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, statistical mechanics, reaction kinetics and dynamics, and theory/simulation of ultrafast time-resolved experiments. You will be a part of the Physical Chemistry section at DTU Chemistry (https
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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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prerequisites): Molecular dynamics (MD) and Density Functional Theory (DFT); Protein engineering; Aptamer design/optimisation; Molecular biology; Graphene. DC13: Structural engineering of bioreceptors
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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
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) transport; • Are familiar with chemical simulation techniques, including but not limited to density functional theory, molecular dynamics, (kinetic) Monte Carlo modeling, finite-element modeling, and multi
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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