The O-As defect in GaAs: A hybrid density functional study

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The O-As defect in GaAs: A hybrid density functional study

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One-Shot Approach for Enforcing Piecewise Linearity on Hybrid Functionals: Application to Band Gap Predictions

Single molecule fluorescence and phosphorescence studies using a scanning tunneling microscope

Spectral properties of extended systems from Koopmans-compliant functionals

Role of Stress History on the Swelling-Shrinkage Behavior of Compacted Scaly Clay

Accurate and efficient band-gap predictions for metal halide perovskites at finite temperature

Electronic transport in graphene nanoribbon junctions

Koopmans Spectral Functionals in Periodic Boundary Conditions

Assessing the persistence of chalcogen bonds in solution with neural network potentials

Engineering of Existing Structures: The Need and Place for Non-destructive Evaluation

Intrinsic Polarization Super Junctions: Design of Single and Multichannel GaN Structures