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cond-mat.mtrl-sci2022
Electron dynamics in extended systems within real-time time-dependent density functional theory
Alina Kononov, Cheng-Wei Lee, Tatiane Pereira dos Santos +10
Due to a beneficial balance of computational cost and accuracy, real-time time-dependent density functional theory has emerged as a promising first-principles framework to describe…
cond-mat.mtrl-sci2022
First-principles simulation of light-ion microscopy of graphene
Alina Kononov, Alexandra Olmstead, Andrew D. Baczewski +1
The extreme sensitivity of 2D materials to defects and nanostructure requires precise imaging techniques to verify presence of desirable and absence of undesirable features in the…