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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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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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. 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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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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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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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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. 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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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
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analysis with X-ray and entron diffraction. Property characterisation using a physical property measurement system (PPMS) and a SQUID magnetometer (MPMS). Ab-initio DFT calculations for property predication
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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