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, Geraint Evans, Haesom Sung, and Ritesh Ghosh. Applicants with particular research interests in heavy-ion collisions, QCD at finite temperature and density, quantum field theories with strong fields, and
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systems at various scales, for example using ab initio electronic structure methods like density-functional theory, developing interatomic potentials with various methodologies including machine learning
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of promotion to the research associate. For details of recent research progress of the group, please visit ORCID: 0000-0002-8591-2652 Research Fields (1) Use density functional theory, many-body perturbation
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in condensed matter theory and computational methods advanced research and technical skills appropriate to computational condensed matter, including density-functional theory and supercomputing
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Calculations will be valued but it is not essential. · Previous knowledge of Density Functional Theory (DFT) and experience with DFT codes will be very highly valued. · Knowledge of chemical reactions and how
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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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characterization with advanced computational chemistry tools, including molecular dynamics, density functional theory and Grand Canonical Monte Carlo simulations. Position Requirements A recent or soon-to-be
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Description Job Duties: Conduct the computational and theoretical research on magnetic and topological properties in van der Waals materials using Density Functional Theory (DFT) calculations, tight-binding and
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validate the predictions of the ML models by means of atomistic modeling, in particular density functional theory (DFT) calculations, obtaining simulated electronic and emission spectra for the CDs. Finally
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theory (Density Functional Theory, Wave Function Theory) is expected. - Solid experience with the Python programming language and Unix/Linux environment - Good command of scientific English, both written