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. Responsibilities and qualifications The main focus of the job is to do computational research using Density Functional theory calculations to understand spin-mediated promotion effects in heterogeneous catalysis
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complex materials simulations. These agents will assist with setting up, executing, and optimizing electronic structure workflows, from standard ground-state Density Functional Theory (DFT) calculations
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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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): Molecular dynamics (MD) and Density Functional Theory (DFT); Protein engineering; Aptamer design/optimisation; Molecular biology; Graphene. DC13: Structural engineering of bioreceptors for graphene. Engineer