Purchase of Computational Chemistry Hardware

化学研究仪器和设施(CRIF)计划的这一奖项将帮助爱荷华州立大学化学系购买两台八节点SMP计算机和一台由八台微型计算机组成的实验集群。该设备将加强多个领域的研究，包括量子化学、表面化学模拟、硫光化学、金属间化合物的固态化学和高分辨率photoionization-photoelectron-photodissociation研究。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”还可以作为新的理论代码和算法的开发环境，提供图形和可视化设施，并支持对最先进的并行处理应用程序的研究。

This award from the Chemistry Research Instrumentation and Facilities (CRIF) Program will help the Department of Chemistry at Iowa State University to purchase two eight node SMP computers and an experimental cluster of eight microcomputers. This equipment will enhance research in a variety of areas including quantum chemistry, surface chemistry simulations, sulfur photochemistry, solid state chemistry of intermetallic compounds, and high resolution photoionization-photoelectron-photodissociation studies. 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 graphics and visualization facilities, and supports research in state-of-the-art applications of parallel processing.