Purchase of a Computer

进行前沿研究的化学家越来越依赖于 更多的是在能够处理复杂的 模拟、数据分析和图形软件。 需要 在一台实验室计算机上容纳多个用户， 单个化学系设施上的多个用户可以 通过单一解决方案： 大多数用户的需求，并为其余的，随时访问 其他类型的工作站，最终，到一个迷你 超级计算机 该奖项由化学共享研究仪器 该计划将帮助大学化学系 位于博尔德的科罗拉多公司收购、维护和运营一家 图形计算机系统 化学研究领域， 将通过收购得到加强，包括： 1. 从头算和半经验计算 2. 气相离子分子化学 3. 有机自由基的MCSCF计算

Chemists carrying out frontier research are relying more and more on computers that are capable of handling sophisticated simulations, data analysis and graphics software. The need to accomodate multiple users on the single laboratory computer and multiple users on a single chemistry department facility can be met by a single solution: individual work stations for the majority of user needs and, for the remainder, ready access to other types of work stations and, ultimately, to a mini supercomputer. This award from the Chemistry Shared Research Instrumentation Program will help the Department of Chemistry at the University of Colorado at Boulder to acquire, maintain and operate a graphics computer system. The areas of chemical research that will be enhanced by the acquisition include: 1. Ab Initio and Semiempirical Calculations 2. Gas Phase Ion Molecule Chemistry 3. MCSCF Calculations on Organic Radicals