Highly dense atomic Fe–Ni dual metal sites for efficient CO2 to CO electrolyzers at industrial current densities Journal June, 2025
Inverse mapping of properties to composition through generative modeling for designing molten salts Journal June, 2025
US Department of Energy, Office of Science, High-Performance Computing Facility 2024 Operational Assessment Oak Ridge Leadership Computing Facility ORNL Report April, 2025
Benchmarking third-order cluster perturbation theory for electronically excited states... Journal March, 2025
The divide expand consolidate scheme for unrestricted second order Møller–Plesset perturbation theory ground state energie... Journal January, 2025
Spatial core-edge coupling of the particle-in-cell gyrokinetic codes GEM and XGC Journal December, 2020
Parton Distribution Functions from Ioffe Time Pseudodistributions from Lattice Calculations: Approaching the Physical Point Journal December, 2020
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19 Journal December, 2020
