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Post-doctoral position in computational (energy) ... (No replies)

ValPetkov
8 years ago
ValPetkov 8 years ago

A post-doctoral position is available in the field of modeling the atomic-scale structure of materials for energy-related applications, in particular nanometallic catalysts.  Good knowledge of MD, Monte Carlo, DFT and other computational techniques is a must. Ability to write/execute simple code (any language) is highly desirable. 3D structure models (real nanoparticle size/shape/chemistry/free surface/non-periodic boundary conditions) will be tested and refined against TEM, XPS, synchrotron XRD (ex situ and in operando) etc experimental data. Electronic structure (e.g. d-band DOS/reactivity descriptors) will be derived from the best structure models. Check recent papers posted at http://people.cst.cmich.edu/petko1vg/ for more info on the essence of research related to the position. The position is funded by DOE (US Department of Energy). Qualified candidates may e-mail  [email protected] providing a short CV, statement of research and a list of  three  references.    




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Ab initio (from electronic structure) calculation of complex processes in materials