Arnold N Tharrington Computational Scientist Contact arnoldt@ornl.gov | 865.241.9393 All Publications Studying performance portability of LAMMPS across diverse GPU-based platforms Ready for the Frontier: Preparing Applications for the World’s First Exascale System Studying Performance Portability of LAMMPS across Diverse GPU-based Platforms... Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor... Towards Acceptance Testing at the Exascale Frontier... Porting Adaptive Ensemble Molecular Dynamics Workflows to the Summit Supercomputer... Scaling the Summit: Deploying the World's Fastest Supercomputer... Using Compiler Directives for Performance Portability In Scientific Computing: Kernels from Molecular Simulation High-performance Molecular Dynamics Simulation for Biological and Materials Sciences: Challenges of Performance Portability Experiences evaluating functionality and performance of IBM Power8+ systems... Developing MiniApps on Modern Platforms Using Using Multiple Programming Models... Accelerated Application Development: The ORNL Titan Experience... Contemporary High Performance Computing From Petascale toward Exascale... Implementing Molecular Dynamics on Hybrid High Performance Computers - Particle-Particle Particle-Mesh... Implementing Molecular Dynamics for Hybrid High Performance Computers - 1. Short Range Forces... Overview of NLCF FY 2006 Allocations... Key Links ORCID Organizations Computing and Computational Sciences Directorate National Center for Computational Sciences Science Engagement Section Algorithms and Performance Analysis Group
