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
Role of vertex corrections in the matrix formulation of the random phase approximation for the multiorbital Hubbard model Journal December, 2016
Generalized Multiband Typical Medium Dynamical Cluster Approximation: Application to (Ga,Mn)N Journal December, 2016
