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Minimum Qualifications: Ph.D. in Materials Science, Physics, Chemistry, Mechanical Engineering, or related fields Preferred Qualifications: Strong expertise in atomic-scale simulations (e.g., MD, DFT, ML-FF
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automates building and modifying surface structures, submitting DFT calculations, post-processing electronic structure and vacancy energies, and extracting machine-learning descriptors for modeling oxygen
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with thermodynamic and kinetic analyses by ITC, cyclic voltammetry, and DFT-D calculations. b) Justification of the contract duration The proposed duration of the contract is considered sufficient to carry out
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Commissariat à l'Energie Atomique et aux Energies Alternatives - Groupe | Gif sur Yvette, le de France | France | about 2 months ago
of Lucovsky et al. demonstrated that the key point defect is the VO, which provides both shallow and deep charge traps, enhanced by g- and X-ray radiation [Lucovsky2006]. First detailed DFT calculations