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- MOHAMMED VI POLYTECHNIC UNIVERSITY
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candidate low-dimensional magnetoelectrics; (b) evaluation of their magnetoelectric properties using density functional theory (DFT) and related computational methods; and (c) advancing theories of novel
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, or related disciplines. Knowledge and Professional Experience: DFT-based methods. First-principles electronic structure calculations and user-level high performance computing. Programming skills
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have expertise and experience in executing density functional theory (DFT) calculations, microkinetic modeling, kinetic Monte Carlo simulations, and Machine learning methods. Minimum Qualifications: Must
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for the simulations with MD and DFT of zeolite catalytic processes, and will participate with the research group, to synchrotron coherent diffractive imaging experiments. This position is part of the funded FAPESP
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-scale research facilities, such as synchrotrons, for EXAFS and high-pressure XPS measurements. We also work in close partnership with the CatTheory group, using DFT-calculations and microkinetic modelling
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. Some experience with first-principle methods (FP/DFT) and/or other forms of electronic and magnetic structure theory and calculations is also expected. The successful candidate will have a strong
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deposition (ALD). The project involves performing quantum mechanical calculations (e.g., first principles density functional theory (DFT)) to identify the structures and to understand the complex mechanisms
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. Strong knowledge of heterogeneous catalysis and computational chemistry. Experience with computational modeling (i,e, DFT, and/or molecular dynamics). Familiarity with software such as Material Studio
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data. The topic will require numerical simulations and collaboration with colleagues working with DFT tools. Numerical 3D simulations of complex nano-devices using commercial or in-house software
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Density Functional Theory (DFT) calculations. Application Process: Interested Candidates should contact Dr. Mausumi Mahapatra via email at mmahapatra1@luc.edu . Applicants are required to submit their CV