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- MOHAMMED VI POLYTECHNIC UNIVERSITY
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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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. 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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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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-learning trained using the van der Waals corrected hybrid density functional theory (DFT) enabled SeA approach [J. Chem. Theory Comput. 19, 4182 (2023)]. The SeA approach is an accurate and efficient high
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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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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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CFD methods DFT and Molecular modelling linked to CCUS Strong analytical and problem-solving skills, with an ability to interpret and analyze simulation and/or experimental results. Ability to work in
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proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics (MD) simulations, enabling the computational investigation of material properties, electronic structure, and atomic-scale behavior