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- MOHAMMED VI POLYTECHNIC UNIVERSITY
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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
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correlations. This study will be conducted in collaboration with specialists in microscopy, RX and optical methods, and modeling (DFT/molecular dynamics). - Modeling the NMR parameters of selected lithium
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catalysis laboratory led by Prof. Kattel. We seek candidates with experience in developing and using machine learning potentials (combined with DFT) to study the behavior of catalysts under reaction
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assemblies, ideally with a focus on battery materials. Demonstrated proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics (MD) simulations, enabling the computational investigation
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. The successful candidate must have substantial experience in state-of-the-art ARPES and/or low temperature STM/STS techniques. Some experience with first-principle methods (FP/DFT) and/or other forms of electronic
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techniques. The research will integrate ab initio-based modeling and DFT calculations with experimental data to enhance the understanding and optimization of the proposed materials as sorbents or possible
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functional theory (DFT) outputs for representative quantum paraelectrics and use these force fields to perform lattice-dynamics simulations with explicit quantum mechanical treatment of the nuclei. Profile A
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Swedish bedrock. The candidate will combine work with DFT codes, many-electron phenomena and spin dynamics methods. The key properties of our studies are magnetization, exchange interations, and
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Experience with static Density Functional Theory (DFT) calculations (e.g., Quantum Espresso, ORCA, NWChem) and Density Functional Tight Binding (DFTB) calculations (DFTB+) classical molecular dynamics (MD
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superconductors. The successful candidate must have substantial experience in state-of-the-art ARPES and/or low temperature STM/STS techniques. Some experience with first-principle methods (FP/DFT) and/or other