Structural descriptor for enhanced spin-splitting in 2D hybrid perovskites Publications Nature Communications
Spatio-temporal characterization of attosecond pulses from plasma mirrors Publications Nature Physics
Global Activity Search Uncovers Reaction Induced Concomitant Catalyst Restructuring for Alkane Dissociation on Model Pt Catalysts Publications American Chemical Society
Robust, Multi-Length-Scale, Machine Learning Potential for Ag–Au Bimetallic Alloys from Clusters to Bulk Materials Publications American Chemical Society
Oxidation Dynamics of Supported Catalytic Cu Clusters: Coupling to Fluxionality Publications American Chemical Society
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor Publications Journal of Chemical Information and Modeling
Two- and three-nucleon contact interactions and ground-state energies of light- and medium-mass nuclei Publications Physical Review C
Combined First-Principles Calculations of Electron–Electron and Electron–Phonon Self-Energies in Condensed Systems Publications CCC RightsLink
Nuclei with Up to 𝐴=6𝐴=6 Nucleons with Artificial Neural Network Wave Functions Publications Few-Body Systems
Atomic and electronic structure of cesium lead triiodide surfaces Publications The Journal of Chemical Physics