Transferable predictions of energetic and structural properties for refractory solid solution alloys across chemical compositions Journal July, 2025
Multi-level Monte Carlo methods in chemical applications with Lennard-Jones potentials and other landscapes with isolated singularities Journal April, 2025
Preliminary Study on Fine-Grained Power and Energy Measurements on Grace Hopper GH200 with Open-Source Performance Tools Conference Paper April, 2025
US Department of Energy, Office of Science, High-Performance Computing Facility 2024 Operational Assessment Oak Ridge Leadership Computing Facility ORNL Report April, 2025
Rigorous computation of short-range order unifies its controversial effects in complex concentrated alloys Journal March, 2025
Scalable training of trustworthy and energy-efficient predictive graph foundation models for atomistic materials modeling: a case study with HydraGNN Journal March, 2025
Benchmarking third-order cluster perturbation theory for electronically excited states... Journal March, 2025
Combined molecular and spin dynamics simulation of BCC iron with vacancy defects Journal February, 2025
