Arnold Tharrington Computational Scientist Contact 865.241.9393 | ARNOLDT@ORNL.GOV 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 Organizations Computing and Computational Sciences Directorate National Center for Computational Sciences Science Engagement Section Algorithms and Performance Analysis Group
