Purchase of Workstation Network for Computational Chemistry and Physics

购买计算化学和物理工作站网络

• 批准号: 9203498
• 负责人: Peder Estrup
• 金额: $ 19.77万
• 依托单位: Brown University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1992
• 资助国家: 美国
• 起止时间: 1992-05-01 至 1994-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9203498&HistoricalAwards=false
• 关键词: Purchase; Workstation; Network; Computational; Chemistry

This award from the Chemistry Research Instrumentation Program will help the Departments of Chemistry at Brown University and the University of Rhode Island acquire, maintain and operate a workstation network. The areas of chemical research that will be enhanced by the acquisition include: 1. The Quantum Mechanics of Surface Adsorbates. 2. The Atomic Geometry of Solid Surfaces. 3. The Equilibrium and Dynamical Properties of Atomic and Molecular Clusters. 4. The Formation and Decay of Clusters. 5. Elementary Excitations in Liquids. 6. Quantum Monte Carlo Algorithums. Chemists carrying out frontier research are relying more and more on computers that are capable of handling sophisticated simulations, data analysis and graphics software. The need to accomodate multiple users on the single laboratory computer and multiple users on a single chemistry department facility can be met by a single solution: individual workstations for the majority of user needs and, for the remainder, ready access to other types of workstations and, ultimately, to a mini supercomputer

化学研究仪器计划的这个奖项 将帮助布朗大学的化学系， 罗得岛大学获得、维护和运营一个 工作站网络 化学研究的领域， 通过收购将得到加强的包括： 1. 表面吸附物的量子力学。 2. 固体表面的原子几何。 3. 原子和分子的平衡和动力学性质 分子簇。 4. 集群的形成和衰退。 5. 液体中的基本激发 6. 量子蒙特卡罗模拟。 进行前沿研究的化学家越来越依赖于 更多的是在能够处理复杂的 模拟、数据分析和图形软件。 需要 在一台实验室计算机上容纳多个用户， 单个化学系设施上的多个用户可以 通过单一解决方案： 大多数用户的需求，并为其余的，随时访问 其他类型的工作站，最终，到一个迷你 超级计算机