Multipole Expansion of Atomic Electron Density Fluctuation Interactions in the Density-Functional Tight-Binding Method Journal October, 2023
Design of high polarization low switching barrier hybrid improper ferroelectric perovskite oxide superlattices Journal October, 2023
Multiple redox mechanisms for water-gas shift reaction on Fe3O4 (1 1 1) surface: A density functional theory and mean-field microkinetic modeling study Journal September, 2023
Evaluation of the excitation spectra with diffusion Monte Carlo on an auxiliary bosonic ground state... Journal September, 2023
Quantum biological insights into CRISPR-Cas9 sgRNA efficiency from explainable-AI driven feature engineering Journal September, 2023
Molecular Symmetry in VQE: A Dual Approach for Trapped-Ion Simulations of Benzene Conference Paper September, 2023
Measuring Single Atomic Defects in 2D Materials with Off-axis EELS Using Real-time AI-driven Detection Conference Paper August, 2023
AI-enabled Automation of Atomic Manipulation and Characterization in the STEM Conference Paper August, 2023
