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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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advanced characterization methods of inorganic materials and their assemblies, ideally with a focus on battery materials. Demonstrated proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics
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Number: 30648 Posting Number: S06699P Job Description: Candidate will work on DFT and atomistic simulation study and experimental development of battery cathode materials in close collaboration between
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the next generation of PV technologies for beyond 2030. The new postdoctoral research position will use materials modelling techniques (DFT, molecular dynamics, machine learning potentials) to investigate
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, using a combination of simulation and physical experimentation on embedded platforms, to evaluate the robustness of AI modules and the effectiveness of the proposed hardening techniques. 4. Cross-layer
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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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) 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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, 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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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