Purchase of a Computer Cluster

化学研究仪器和设施项目的这一奖项将帮助威斯康星大学化学系购买一台联网IBM RISC工作站。该设备将加强一些领域的研究，包括：聚合物的理论和计算机模拟；机械性和探索性有机光化学；从头算量子化学；凝聚相的理论光谱；分子形状和催化剂设计；以及局部聚合物动力学。由快速、现代化的计算机工作站组成的工作站网络是满足化工部门计算需求的一种新途径。这样的“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，并支持研究。

This award from the Chemistry Research Instrumentation and Facilities Program will assist the Department of Chemistry at the University of Wisconsin in the purchase of a networking IBM RISC workstation. This equipment will enhance research in a number of areas including the following: theory and computer simulation of polymers; mechanistic and exploratory organic photochemistry; ab initio quantum chemistry; theoretical spectroscopy in condensed phases; molecular shapes and catalyst design; and, local polymer dynamics. 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 cods and algorithms, provides state-of-the-art graphics and visualization facilities and supports research.