Purchase of a High Performance Departmental Computer Cluster for Research

购买高性能部门计算机集群用于研究

• 批准号: 9807860
• 负责人: Edward Clennan
• 金额: $ 5.27万
• 依托单位: University of Wyoming
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1998
• 资助国家: 美国
• 起止时间: 1998-08-01 至 1999-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9807860&HistoricalAwards=false
• 关键词: Purchase; Performance; Departmental; Computer; Cluster

This award from the Chemistry Research Instrumentation and Facilities (CRIF) Program will help the Department of Chemistry at the University of Wyoming to purchase a high performance departmental computer cluster for research involving large scale calculations. The new computer will be used in support for the following projects: (1) a computational examination of the reactions of organic sulfides and thioketones with singlet oxygen, (2) theoretical/experimental correlations of the small molecule immunoinorganic cytotoxins, (3) electronic structure studies of adsorbate induced reconstruction of metal surfaces, (4) an investigation of fluoroalkylphosphine electronic properties, and (5)computational studies of high energy density organosulfur compounds. A network of fast, modern computer workstations is a new way to satisfy the computing needs of chemistry departments. Such a `computer network` also serves as a development environment for new theoretical codes and algorithms, provides graphics and visualization facilities, and supports research in state-of-the-art applications of parallel processing.

该奖项由化学研究仪器和设施 （CRIF）计划将帮助化学系在大学 怀俄明州购买高性能部门计算机集群， 涉及大规模计算的研究。 新电脑将在 用于支持以下项目：（1）计算 有机硫化物和硫酮与 单线态氧，（2）理论/实验相关性的小 分子免疫无机细胞毒素，（3）电子结构研究 吸附质诱导的金属表面重构;（4）金属表面的吸附诱导重构 氟烷基膦的电子性质，和（5）计算 高能量密度有机硫化合物的研究。 网络 快速，现代化的计算机工作站是一种新的方式，以满足计算 化学系的需求。这样的“计算机网络”还可以作为 一个新的理论代码和算法的开发环境， 提供图形和可视化设施，并支持研究 最先进的并行处理应用。