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Field
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. Experience in solid-state batteries and well-acquainted with electrochemical characterization techniques of batteries. Direct first-hand experience with both inorganic synthesis and DFT modeling including wet
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; previous experience as local contact at synchrotron XAS beamlines; knowledge of advance characterization techniques like XANES simulation and ab initio calculations (e.g. DFT). Good time management skills
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science. Electronic structure calculations (e.g. DFT or tight-binding methods), or thermodynamic modelling (e.g. statistical mechanics, MD or CALPHAD). Scientific data analysis. Interdisciplinary research
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of solid-state materials, with experience in density functional theory (DFT) and/or machine learning interatomic potentials. We welcome applicants with a broad range of research interests and experiences who
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challenging goal for several years. Meritorious qualifications: Periodic DFT on solids, with VASP, Quantum ESPRESSO, CP2K, or similar. Knowledge of band structures, densities of states, phonons. Molecular
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DFT, beyond-DFT, and experimental techniques. We are also interested in developing both forward and inverse machine learning models to accelerate and optimize the design processes. We work in close
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301.975.8496 Description To design novel 2D materials and devices (e.g., sensors and transistors), we are interested in Density Functional Theory (DFT) and/or Tight Binding (TB) based modeling of phase diagrams
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of spintronics. Complemented with density functional theory (DFT) calculations to build scientific and technical competence as well as strengthen transferrable skills, this position provides you with the skills
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for molecular magnetic materials lags behind these experimental breakthroughs. DFT fails to capture strong correlation, while wave function-based methods are computationally prohibitive for strongly-correlated
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structure-chemistry-property discovery in magnetic solids and validate them against multi-modal experimental measurements Perform high-throughput first-principles electronic structure calculations (e.g. DFT