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-to-olefins, syngas-to-olefins) involve the production of hydrocarbons from renewable raw materials. In addition to periodic density functional theory (DFT), ab initio methods and molecular dynamics (MD
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apply nonperturbative methods for strongly correlated electron systems, with a focus on integrating accurate many-body calculations with density functional theory. The candidate will also contribute
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scattering, as well as solid state NMR and computational approaches including density functional theory calculations. The direct access to these facilities and collaborative atmosphere represents a stimulating
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candidate would work on projects in methods development for coupled electron-nuclear dynamics based on the exact factorization approach and time-dependent density functional theory. Projects involve theory
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candidate would work on projects in methods development for coupled electron-nuclear dynamics based on the exact factorization approach and time-dependent density functional theory. Projects involve theory
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system. Duties include: (i) construction and cataloging of thermochemical databases, (ii) using density functional theory to compute the thermochemical properties of mineral phases relevant to CAIs and
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of Technology combines outstanding research in many-body physics, materials theory and plasma physics. Our teams develop and apply state-of-the-art numerical methods and simulations – from density functional
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, HEP-Phenomenology (hep-ph) , hep-th , HEP-Theory (hep-th) , High energy density matter , High Energy Physics , High Energy Theory Group , High Performance Computing , HP-Theory , Machine Learning
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apply approximation methods for interpolating electronic/phononic/thermodynamic properties of disordered crystal materials. Design and implement high-throughput density functional theory (DFT) workflows
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the dynamics and statistics of topological defects in active systems, using continuum theories of active ordered states. This project will require both numerical and analytical work. The position will be based