Theoretical Chemistry Computer Facility

理论化学计算机设备

• 批准号: 9808182
• 负责人: Paul Hopkins
• 金额: $ 33.79万
• 依托单位: University of Washington
• 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: 1998-08-15 至 2001-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9808182&HistoricalAwards=false
• 关键词: Theoretical; Chemistry; Computer; Facility

This award from the Chemistry Research Instrumentation and Facilities (CRIF) Program and the Major Research Instrumentation (MRI) Program will enable the Department of Chemistry at The University of Washington to acquire a DEC workstation cluster. This upgrade will increase computational speed by more than a factor of five and also allow large core jobs access to a core memory capacity enhanced by a factor of eight. These enhancements will meet the computational needs of chemists working in a variety of research areas including (i) surface and materials chemistry; (ii) theoretical organic chemistry; and (iii) free energies of complex systems and Bose condensation. 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-the-art 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) 计划以及主要研究仪器 (MRI) 计划授予，华盛顿大学化学系将能够获得 DEC 工作站集群。 此次升级将使计算速度提高五倍以上，并允许大型核心作业访问增强八倍的核心内存容量。 这些增强功能将满足化学家在各种研究领域工作的计算需求，包括（i）表面和材料化学； (ii) 理论有机化学； (iii) 复杂系统的自由能和玻色凝聚。 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”还可以作为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。