High Performance Beowulf Cluster for Computational Studies of Electrolytes for Energy Storage and Conversion
Abstract
Major Goals: The purpose of this DURIP grant is to acquire a small Beowulf computational cluster consisting of eight compute nodes that will be integrated into the PI's existing computational cluster. This state of the art cluster will permit electronic structure calculations to be performed on large molecular systems with highly accurate quantum chemical methodologies (e.g. MP2, G2, QCISD, etc.) that may be used to assess the short coming in DFT based methods). The cluster will also be utilized to perform trial and benchmarking AIMD simulations (e.g. with the VASP code) for the submission of proposals requested computational time on the large supercomputer centers across the country (i.e., via the XSEDE). The calculations and simulations performed with this equipment will permit the ARO funded research on various polymerized ionic liquids.
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 14, 2016
- Accession Number
- AD1077210
Entities
People
- Stephen J Paddison
Organizations
- University of Tennessee system