US Department of Energy, Office of Science, High-Performance Computing Facility 2024 Operational Assessment Oak Ridge Leadership Computing Facility ORNL Report April, 2025
Workflows for Science: A comprehensive guide for ensemble workflow tools usage with applications on OLCF systems ORNL Report April, 2025
Multi-level Monte Carlo methods in chemical applications with Lennard-Jones potentials and other landscapes with isolated singularities Journal April, 2025
Molecular-Level Insights into the NMR Relaxivity of Gadobutrol Using Quantum and Classical Molecular Simulations... Journal April, 2025
Iterative Methods in GPU-Resident Linear Solvers for Nonlinear Constrained Optimization Journal March, 2025
Consequences of the failure of equipartition for the p–V behavior of liquid water and the hydration free energy components of a small protein Journal March, 2025
Scale-up Unlearnable Examples Learning with High-performance Computing Conference Paper February, 2025
