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properties using time-dependent density functional theory and Monte Carlo methods, analysis and interpretation of data to validate theoretical models, manuscript development, and communication of research
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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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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
Searches related to density functional theory dft
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