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
Liquid–Vapor Phase Equilibrium in Molten Aluminum Chloride (AlCl3) Enabled by Machine Learning Interatomic Potentials Journal January, 2025
Screening in nanowires and nanocontacts: field emission, adhesion force, and contact resistance... Journal December, 2009
Progress on First-Principles Calculations and Experimental Results of Single-crystalline Magnetic Tunnel Junctions with MgO b... Journal December, 2009
