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Description: Apply Position Description We invite talented and motivated applicants for PhD and Postdoc positions in the group of Haowei Xu (https://www.haoweixu.com/ ) at the Department of Physics, City
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framework for metalloenzymes containing bound metal cofactors, with a focus on the Ni(I)–F430 center of methyl-coenzyme M reductase (MCR). Using density functional theory (DFT), force-field parameterization
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, MD simulation, DFT modeling) Numerical methods in mechanics of materials for fatigue If interested, please send your application materials with the subject line “Postdoc in AM” to Dr. Amir Mostafaei
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) at multiple microwave frequencies. This work will be complemented by the systematic quantitative analysis of experimental data through spectral simulation, in combination with the use of various substrates
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periodic DFT/TD-DFT, complemented by lattice dynamics and light data-driven screening, will predict polarizabilities, non-linear susceptibilities, phonon dispersions, Curie behavior, and Raman/IR signatures
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Scikit-learn, PyTorch, Openbabel, and RDKit packages. Experience with density functional theory (DFT) calculations. Experience with version control GitHub repositories, and Unix/Linux supercomputing
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theoretical modelling of our experimental results to support this work. This includes DFT modelling of absorber-molecule interfaces and calculations of absorption and Auger spectra. This work will be carried
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into cellulose-solvent interactions and fiber formation. The candidate will develop models at different levels, including molecular dynamics, DFT, and mesoscale simulations. This multiscale approach will assist in
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experience using 2D or 3D x-ray fluorescence microscopy. Proven expertise in DFT and/or XANES simulation Hands-on experience with in-situ and operando measurement Demonstrated success in the design
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molecular systems. Method development, potentially in the realm of time-dependent current DFT, will likely also be required as we learn about physical phenomena underlying the CISS effect. Bhat group