The Rhode Island Network for Computational Chemistry and Physics

罗德岛计算化学和物理网络

• 批准号: 9625498
• 负责人: Jimmie Doll
• 金额: $ 16.4万
• 依托单位: Brown University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1996
• 资助国家: 美国
• 起止时间: 1996-09-01 至 1998-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9625498&HistoricalAwards=false
• 关键词: Rhode; Island; Network; Computational; Chemistry

This award from the Chemistry Research Instrumentation and Facilities (CRIF) Program and the Academic Research Infrastructure (ARI) Program will assist the Department of Chemistry at Brown University acquire computer systems to upgrade the existing computer network. This equipment will enhance research in a number of areas including the following: (1) interfacial dynamics of hydrogen in metals (2) quantum simulations of adsorbed hydrogen on metal clusters (3) trial wave functions and invariants, and (4) vibrational relaxation of polyatomic molecules in liquids. 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 state-of-art graphics and visualization facilities, and supports research in state-of-the-art applications of parallel processing.

该奖项来自化学研究仪器和设施(CRIF)计划和学术研究基础设施(ARI)计划，将帮助布朗大学化学系获得计算机系统，以升级现有的计算机网络。该设备将加强以下领域的研究：(1)氢在金属中的界面动力学(2)金属团簇上吸附的氢的量子模拟(3)试波函数和不变量，以及(4)液体中多原子分子的振动弛豫。快速、现代化的计算机工作站网络是满足化学系计算需求的一种新途径。这种“计算机网络”还作为新的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，并支持对最先进的并行处理应用程序的研究。