Acquisition of Computer Infrastructure for the San Diego State University Computational Science Research Center

在主要研究仪器(MRI)计划的支持下，圣地亚哥州立大学计算科学研究中心将获得一个由Intel/Linux集群和4个工作站组成的计算机系统。这一设备将加强下列领域的研究：a)具有化学转化低障碍机制的活性化学中间体的结构和动力学性质的计算；b)开发用于静止物体周围海洋流动模式的数值积分技术；c)将蛋白质-蛋白质对接作为迭代蛋白质设计技术的一个组成部分进行建模；d)开发和测试火焰动力学数学模型；e)模拟不同行星之间以及行星与其太阳之间的碰撞；f)计算量子流体的动力学性质；g)绘制线粒体结构的三维图谱和相关的统计分析。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。这些研究将在许多领域产生重大影响，包括生物化学、海洋科学、药物开发、燃烧化学、天文学和材料科学。

With support from the Major Research Instrumentation (MRI) Program, the Computational Science Research Center at San Diego State University will acquire a computer system consisting of an Intel/Linux cluster and 4 workstations. This equipment will enhance research in the following areas: a) calculation of structural and dynamical properties of reactive chemical intermediates with low-barrier mechanisms for chemical transformation; b) development of numerical integration techniques for application to oceanic flow patterns around static objects; c) modeling of protein-protein docking as a component in iterative protein design techniques; d) development and testing of mathematical models of flame dynamics; e) simulation of collisions between different planets and between planets and their suns; f) calculation of dynamical properties in quantum fluids; and g) three-dimensional mapping of mitochondrial structures and associated statistical analysis. 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 biochemistry, ocean sciences, drug development, combustion chemistry, astronomy, and materials sciences.