Software stewardship and advancement of a high-performance computing scientific application: QMCPACK Journal February, 2025
Evaluation of Density-Functional Tight-Binding Methods for Simulation of Protic Molecular Ion Pairs Journal February, 2025
Simulation of 24,000 Electron Dynamics: Real-Time Time-Dependent Density Functional Theory (TDDFT) with the Real-Space Multigrids (RMG) Journal January, 2025
Enhancing High-Fidelity Neural Network Potentials through Low-Fidelity Sampling Journal December, 2024
Magnetic phase diagram of a two-orbital model for bilayer nickelates with varying doping Journal November, 2024
