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, reaction kinetics and dynamics, and theory/simulation of ultrafast time-resolved experiments. will be a part of the Physical Chemistry section at DTU Chemistry (https://www.kemi.dtu.dk/english/research
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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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functional theory – a molecular-scale continuum description of inhomogeneous systems – in process design and, therefore, to fuse the scales from molecules to processes. To overcome the computational challenge
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, statistical mechanics, reaction kinetics and dynamics, and theory/simulation of ultrafast time-resolved experiments. You will be a part of the Physical Chemistry section at DTU Chemistry (https
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of materials. The position requires extensive knowledge in performing quantum mechanical calculations (e.g., first principles density functional theory (DFT)) to elucidate complex reaction mechanisms occurring
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model development, along with proficiency in programming (e.g., Mathematica, Python), is expected. Basic familiarity with density-functional theory (DFT) or similar computational methods is welcome
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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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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