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the group’s research and philosophy head over to www.d2r2group.com Qualifications Strong background in ab-initio calculations of materials (density functional theory) and high-performance computing
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organic radicals as novel charge transfer systems for use in fuel cells, electrolysers and batteries. Knowledge of computational modelling of materials/molecules using density functional theory (DFT) based
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in-situ observation of crystal growth and the evaluation of material properties, with the hope of developing a crystal growth process that maximizes material functionality. Optimizing defect density
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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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the A and/or B sites of the perovskite structure. The study will analyze the influence of chemical complexity and entropy-induced disorder on energy-storage density, energy efficiency, and
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) for quantum entanglement and tomography in particle decays and measure these using data from the Large Hadron Collider (LHC) at CERN. Quantum tomography aims to reconstruct the full density matrix of proton
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measure key plasma parameters, as well as the absolute densities of atoms and molecules. The project will also explore how plasma interacts with different materials and how plasma treatment modifies surface
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orderly condition. Schedules and operates the Dexa machine to perform Bone Mineral Density Studies and Dexa fit analysis. Performs other job-related duties as assigned. Minimum Qualifications High school
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. This will involve designed experiments exploring tunable physical and chemical parameters, including (but not limited to): flow rate, vortex size, and hydrodynamic mixing plasma energy density (power
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. Advisers name email phone Carelyn E. Campbell carelyn.campbell@nist.gov 301.975.4920 Description First principles electronic structure methods such as density functional theory (DFT) are crucial