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of oxygenates from CO and/or CO2, and mechanistic studies including operando spectroscopy and possibly numerical simulations (microkinetics, DFT). The objective is to discover new eco-efficient catalytic phases
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& Responsibilities Perform large-scale electronic structure and atomistic simulations (DFT, AIMD, NEB) to study ion mobility in aluminosilicate and oxide frameworks. Generate datasets linking structure, environment
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://www.diamond.ac.uk/Instruments/Mx/VMXi/Staff/Hough.html Details of Diamond Light Source and its studentship program may be found here: https://www.diamond.ac.uk/Home.html https://www.diamond.ac.uk/Careers/Students/PhD
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criteria The candidate should hold a PhD in computational chemistry, materials science, or a closely related field, with strong experience in DFT calculations (preferably periodic systems) and familiarity
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Back to Overview Research Assistant / PhD Student (m/f/d), Machine learning chiral molecules, 75%Full PhD Working LanguageGerman, English LocationKassel Application Deadline20 Feb 2026 Starting
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research environment spanning engineering, materials science, and microbiology. About you You will hold a PhD in Computational Chemistry, Chemical Physics, Materials Science, Biophysics, Computational
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in structure characterization of homogeneous and heterogeneous catalysts using nuclear magnetic resonance (NMR) spectroscopy and density functional theory (DFT) to deduce structure-property
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postgraduate degree at PhD level (or nearing completion / submission) in a relevant area of synthetic organic chemistry. Further information is available at the following group webpages: Prof. Rebecca Melen
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computational condensed matter physics. We seek a motivated researcher with expertise in density functional theory (DFT) to study emergent phenomena in quantum materials. Research Areas - Correlated electronic
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UnitedKingdomTime) Position Description: Apply Position Description We invite talented and motivated applicants for PhD and Postdoc positions in the group of Haowei Xu (https://www.haoweixu.com/ ) at the Department