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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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between catalysts and reactants. Write scientific reports and research articles and participate in conferences. Candidate Profile PhD degree in Chemical Engineering, Materials Science, or a related field
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national laboratories, providing excellent networking and career development prospects. Required Qualifications: PhD in Chemistry, Physics, Chemical Engineering, Materials Science, or related Disciplines
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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
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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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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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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