Purchase of a High-Performance Parallel Computer

凭借化学研究仪器和设施（CRIF）计划的这一奖项，密歇根州立大学化学系将购买一台高性能并行计算机。该设备将加强各种领域的研究，包括：（1）单分子捕获的电动力学研究;（2）生物学中氧/水循环的过渡态研究;（3）含过渡金属分子电子结构的计算量子化学;（4）涉及材料研究的研究和教育;机制，中间体&光谱分析; 5）分子电子结构的量子理论; 6）分子性质和光谱学;和7）反应动力学。快速、现代化的计算机工作站的工作站网络是满足化学系计算需求的新途径。这样的“计算机网络”也可以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，并支持并行处理的最先进应用的研究。

With this award from the Chemistry Research Instrumentation and Facilities (CRIF) Program, the Department of Chemistry at Michigan State University will purchase a High-Performance Parallel Computer. This equipment will enhance research in a variety of areas including 1) studies of the electrodynamics of single molecule trapping; 2) studies of the transition states for the oxygen/water cycle in biology; 3) computational quantum chemistry of the electronic structure of molecules containing a transition metal; 4) research and education involving studies of materials; mechanisms, intermediates & spectroscopic analysis; 5) quantum theory of molecular electronic structure; 6) molecular properties and spectroscopy; and 7) reaction 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 codes and algorithms, provides state-of-the-art graphics and visualization facilities, and supports research in state-of-the-art applications of parallel processing.