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for new catalyst compositions using DFT-calculations. Qualifications The successful candidate is well-motivated, hardworking, and willing/able to work as part of a team. The candidate should have a PhD
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. Quantum Mechanical Calculations: - Performing first-principles based or Density Functional Theory (DFT) calculations for molecules/materials and interphases - Utilizing Molecular Dynamics (MD) simulations
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molecular dynamics (MD), density functional theory (DFT), and quantum mechanics/molecular mechanics (QM/MM) approaches. Planned research activities will also rely on the application and further development
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an autonomous framework for setting up, executing, and optimizing complex electronic structure workflows, ranging from ground-state Density Functional Theory (DFT) to many-body perturbation theory methods such as
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heat transport at the nanoscale. Couple BTE-based models with information from atomistic simulations DFT of advanced materials and thermal interfaces. Investigate phonon scattering, thermal conductivity
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Discrete Fourier Transform-Spread-Orthogonal Frequency Division Multiplexing - DFT-s-OFDM Resource allocation and security design: Simultaneous wireless information and power transfer, physical layer design
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University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | 4 days ago
materials research group led by Dr. Mengen Wang is seeking a postdoc researcher to work on computational materials. The postdoc researcher will perform DFT calculations and develop methods to accelerate
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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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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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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