MRI: Acquisition of a Supercomputing Cluster for Computational and Data-Intensive Applications in Science and Engineering

University Of Arkansas, Fayetteville AR

Investigators

Abstract

Proposal #: CNS 07-22625 PI(s): Apon, Amy W. Bellaiche, Laurent; Fu, Huaxiang; Pulay, Peter; Thompson. Craig W. Institution: University of Arkansas Fayettesville, AR 72701-1201 Title: MRI/Acq.: Supercomputer Cluster for Computational & Data-Intensive Applications in Science & Engineering Project Proposed: This project, acquiring a cluster for computational and data intensive applications, aims to enable projects in computer science, physics and chemistry, including . Grid Capacity Planning, focusing on grid workload and systems characterization and building simulation models or performance analysis, capacity planning, evaluation of scheduling, and data placement; . Approach to Design Low Loss, Tunable Ferroelectric Material, resolving dialectric loss at finite frequency and temperature for microscopic understanding of loss mechanism(s); . Discovering New Physics of Nanostructured Materials to understand and discover new physics in novel types of nanomaterials; . Developing Methods for Parallel Computing to Improve Fourier Transform Coulomb (FTC) and Efficient Implementation of Triple Substitutions in Coupled Cluster Theory; . Data Indexing and Middleware, including RFID middleware, Synthetic data generation service, Subsetting the workflow grid, VMlab, and Technology transition; . Computational Design of Self-assembly Systems for Nanostructured Formation; . High Performance Computing for Spray Cooling Modeling and Nanofluids; and . Atomistic Calculations of Interface Behavior in Nanostructured Materials. The computing cluster, an integrated supercomputing platform for distributed memory parallel applications, also enables collaborative courses in high-performance and grid computing. Broader Impact: The infrastructure contributes to outreach activities such as seminars and academic courses, attracting new users and building computational expertise in the region, as well as in the training of students.