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
Tuning the Mechanical and Dynamic Properties of Elastic Vitrimers by Tailoring the Substituents of Boronic Ester Journal December, 2023
Deep learning workflow for the inverse design of molecules with specific optoelectronic properties... Journal November, 2023
