Purchase and Operation of a Networked Computer System

高性能图形和可视化工具正在成为实验化学和计算化学的重要因素。此外，与这些系统相关联的计算能力为研究人员群体提供了具有成本效益的计算资源。这份来自化学仪器项目和先进科学计算部门的合同将被莱斯大学化学系用来帮助获得一个网络计算机系统。此次收购将加强的化学研究领域包括：1)量子化学项目2)分子束反应散射3)硅和金刚石表面动力学过程的计算机模拟4)小多原子分子的光解动力学5)高激发态和反应性分子系统的计算分析6)金属和半导体簇表面科学7)支持光物理和光化学研究的量子化学。

High performance graphics and visualization tools are becoming a significant factor in both experimental and computational chemistry. Further, the computing power associated with these systems provides a cost-effective computing resource for groups of investigators. This award from the Chemical Instrumentation Program and the Division of Advanced Scientific Computing will be used by the Department of Chemistry at Rice University to help acquire a networked computer system. The areas of chemical research that will be enhanced by the acquisition include the following: 1) Projects in quantum chemistry 2) Molecular beam reactive scattering 3) Computer simulations of kinetic processes on silicon and diamond surfaces 4) Dynamics of photodissociation in small polyatomic molecules 5) Computational analysis of highly excited and reactive molecular systems 6) Metal and semiconductor cluster surface science 7) Quantum chemistry in support of photophysics and photochemistry research.