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 ... Journal March, 2025
GPU-enabled extreme-scale turbulence simulations: Fourier pseudo-spectral algorithms at the Exascale using OpenMP offloading Journal January, 2025
Comparison of Artificial Compressibility Methods for Coupled Laminar Fluid Flow and Heat Transfer Conference Paper January, 2025
Towards a Quantum Algorithm for the Incompressible Nonlinear Navier-Stokes Equations Conference Paper January, 2025
Exascale Programming Approaches for Accelerated Climate Modeling for Energy Book Chapter November, 2017
Exascale Programming Approaches for Accelerated Climate Modeling for Energy Book Chapter November, 2017
Experiences evaluating functionality and performance of IBM Power8+ systems Conference Paper June, 2017
