Van Quan Vuong Contact vuongqv@ornl.gov All Publications Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro Investigating the Accuracy of Water Models through the Van Hove Correlation Function... How the Size and Density of Charge-Transfer Excitons Depend on Heterojunction’s Architecture... Pre-Sodiated Ti3C2Tx MXene Structure and Behavior as Electrode for Sodium-Ion Capacitors Density-functional tight-binding for phosphine-stabilized nanoscale gold clusters... Protein Molecular Dynamics Simulations with Approximate QM: What Can We Learn?... Density-Functional Tight-Binding for Platinum Clusters and Bulk: Electronic vs Repulsive Parameters... Artificial neural network correction for density-functional tight-binding molecular dynamics simulations... The Fragment Molecular Orbital Method Based on Long-Range Corrected Density-Functional Tight-Binding The Fragment Molecular Orbital Method Based on Long-range Corrected Density-functional Tight-binding Parametrization and Benchmark of Long-Range Corrected DFTB2 for Organic Molecules... Key Links ORCID