Parallel and Desk Top Computers for Computational Chemistry Research and Education

用于计算化学研究和教育的并行和台式计算机

• 批准号: 9974471
• 负责人: C. Poulter
• 金额: $ 18.5万
• 依托单位: University of Utah
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1999
• 资助国家: 美国
• 起止时间: 1999-08-01 至 2002-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9974471&HistoricalAwards=false
• 关键词: Parallel; Desk; Top; Computers; Computational

With this award from the Chemistry Research Instrumentation and Facilities (CRIF) Program, the Department of Chemistry at the University of Utah will purchase parallel and desk top computers for computational chemistry research and education. This equipment will enhance research in a variety of areas including studies of small doubly charged anions; Rydberg-bound molecules; autodetachment dynamics in quasi dipole-bound anions; microsolvation: structure, thermochem & reactivity of hydrated clusters; interfacial chemistry; and zeolite catalysis. This research program will have a substantial impact on the computational methods used today in chemical research. In addition, there will be significant contributions to education via web-based instruction.

凭借化学研究仪器和设施（CRIF）计划的这一奖项，犹他州大学化学系将购买并行和台式计算机用于计算化学研究和教育。这一设备将加强各种领域的研究，包括研究小型双电荷阴离子;里德伯束缚分子;准偶极束缚阴离子的自动脱离动力学;微溶剂化：结构、水合团簇的热化学反应性;界面化学;以及沸石催化。 这项研究计划将对当今化学研究中使用的计算方法产生重大影响。 此外，通过网络教学将对教育作出重大贡献。