Theoretical Chemistry Computer Facility

化学研究仪器和设施(CRIF)计划和主要研究仪器(MRI)计划的这一奖项将使华盛顿大学化学系获得DEC工作站集群。这一升级将使计算速度提高五倍以上，并允许大型核心作业访问提高八倍的核心内存容量。这些改进将满足在各种研究领域工作的化学家的计算需求，包括(I)表面和材料化学；(Ii)理论有机化学；(Iii)复杂体系的自由能和玻色凝聚。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。

This award from the Chemistry Research Instrumentation and Facilities (CRIF) Program and the Major Research Instrumentation (MRI) Program will enable the Department of Chemistry at The University of Washington to acquire a DEC workstation cluster. This upgrade will increase computational speed by more than a factor of five and also allow large core jobs access to a core memory capacity enhanced by a factor of eight. These enhancements will meet the computational needs of chemists working in a variety of research areas including (i) surface and materials chemistry; (ii) theoretical organic chemistry; and (iii) free energies of complex systems and Bose condensation. 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.