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resolved (polarized, low-temperature) absorption and photoluminescence spectroscopy, and a good knowledge in the use of density functional theory calculations of these materials. Job description We
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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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software (e.g., Gaussian, Dalton, TurboMole) is highly desirable. Experience in Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) are desirable assets. Strong analytical
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Physics, or a related discipline. Experience with recognized computational chemistry software (e.g., Gaussian, Dalton, TurboMole) is highly desirable. Experience in Time-Dependent Density Functional Theory
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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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understanding of neutron scattering and magnetism; Experience with density functional theory; Experience in statistics and programming. • Manual skills and rigorous attention to detail are essential in this work
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enzyme active site density functional theory (DFT) ‘cluster’ or QM/MM models. The Hough group at Diamond develops methodologies for ambient temperature, time resolved macromolecular crystallography and
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: https://www.uni-giessen.de/en/faculties/ggkgcsc/graduate-programmes/phdnet/phdnet Integrated internships An internship is not part of the programme. Teaching/work obligations or opportunities Members have
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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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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