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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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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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engineering, chemistry, physics, or a closely related field are particularly encouraged to apply. We seek candidates with expertise in some or all the following areas: density functional theory, deep learning
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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
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will focus on the development of GPU-accelerated GPAW software based on density functional theory (DFT) for constant-potential calculations within a plane-wave framework. The developed software will be
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combine density functional theory (DFT), molecular simulations, and machine-learning force field (ML-FF) development to uncover the factors controlling NHC–surface interactions and to model realistic
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on electronic structure and phonon dynamics in the part of the phase diagram of TMDs where short-range CDW fluctuations dominate. The methods that will be used include density functional theory and many-body
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Position Details Position Information Recruitment/Posting Title Postdoctoral Associates - Condensed Matter Theory Department Physics & Astronomy Salary Details A minimum of $63,968 for calendar year
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strongly recommended. • High Performance Computing. • Experience with High Throughput Calculations will be valued but it is not essential. • Previous knowledge of Density Functional Theory (DFT) and
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, molecular, optical and chemical physics, high energy density and plasma physics, condensed matter physics, astrophysics and atmospheric sciences. Please see here for more information: https://www.unr.edu