Purchase of Parallel Computer for Chemistry Research

购买并行计算机用于化学研究

• 批准号: 9412562
• 负责人: Duward Shriver
• 金额: $ 15万
• 依托单位: Northwestern University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1994
• 资助国家: 美国
• 起止时间: 1994-07-01 至 1995-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9412562&HistoricalAwards=false
• 关键词: Purchase; Parallel; Computer; Chemistry; Research

This award from the Chemistry Research Instrumentation and Facilities Program will assist the Department of Chemistry at the Northwestern University in the purchase of a distributed memory parallel computer. This equipment will enhance research in a number of areas including the following: parallelized local-density and density functional electronic structure calculations, parallel scattering calculations, dynamical mean-field studies and molecular dynamics calculations. A workstation 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, and provides state-of-the-art graphics and visualization facilities.

这份来自化学研究仪器和设施项目的合同将帮助西北大学化学系购买一台分布式内存并行计算机。该设备将加强许多领域的研究，包括：并行局部密度和密度泛函电子结构计算，并行散射计算，动态平均场研究和分子动力学计算。快速、现代化的计算机工作站网络是满足化学部门计算需求的新途径。这样的“计算机网络”也可以作为新的理论代码和算法的开发环境，并提供最先进的图形和可视化设施。