Purchase of Computational Hardware for Chemistry Research

购买化学研究计算硬件

• 批准号: 9709182
• 负责人: James Ibers
• 金额: $ 10.1万
• 依托单位: Northwestern University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1997
• 资助国家: 美国
• 起止时间: 1997-08-01 至 2000-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9709182&HistoricalAwards=false
• 关键词: Purchase; Computational; Hardware; Chemistry; Research

*** 9709182 IBERS This award from the Chemistry Research Instrumentation and Facilities (CRIF) Program will assist the Department of Chemistry at Northwestern University to acquire two IBM workstations with associated software. This equipment will enhance research in which the primary applications will center in the areas of electronic structure, both in the development of new codes using density function, relativistic and ab-initio methods, and in applications to problems ranging from chemical dynamics through electron transfer and molecular spectra to embedded clusters. 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, provides state-of-art graphics and visualization facilities, and supports research in state-of-the-art applications of parallel processing. ***

*** 9709182 IBERS 该奖项由化学研究仪器和设施 (CRIF) 计划授予，将协助西北大学化学系购买两台带有相关软件的 IBM 工作站。该设备将加强主要应用集中在电子结构领域的研究，包括使用密度函数、相对论和从头计算方法开发新代码，以及从化学动力学到电子转移、分子光谱到嵌入簇等问题的应用。 由快速、现代计算机工作站组成的工作站网络是满足化学系计算需求的新方法。这样的“计算机网络”还充当新理论代码和算法的开发环境，提供最先进的图形和可视化设施，并支持并行处理的最先进应用的研究。 ***