Purchase of a Computer Cluster for the New UNT Computational Chemistry Research Facility

在化学研究仪器和设施（CRIF）计划的支持下，北德克萨斯大学化学系将获得一个计算机集群。该设备将加强在许多领域的研究，包括a)气相自由基的反应动力学；B)导电聚合物的电子特性；C)有机反应的详细机理；D)表面的键合和反应；E)电子相关方法学的发展；E)合理设计有机合成金属催化剂；g)发光材料的建模。一组快速、现代化的计算机工作站对于满足活跃的研究部门的计算需求至关重要。这样的“计算机网络”还可以作为新的理论代码和算法的开发环境，提供最先进的图形和可视化设施，并支持最先进的并行处理应用的研究。这些研究将对包括材料科学和合成有机化学在内的许多领域产生重大影响。

With support from the Chemistry Research Instrumentation and Facilities (CRIF) Program, the Department of Chemistry at the University of North Texas will acquire a computer cluster. This equipment will enhance research in a number of areas including a) reaction kinetics of gas-phase radicals; b) electronic properties of conducting polymers; c) detailed mechanisms of organic reactions; d) bonding and reactions at surfaces; e) development of electron correlation methodology; e) rational design of metal catalysts for organic synthesis; and g) modeling of luminescent materials. A cluster of fast, modern computer workstations is vital to serving the computing needs of active research 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. These studies will have a significant impact in a wide number of areas, including materials science and synthetic organic chemistry.