MRI: Acquisition of a Beowulf Cluster for Research and Education in the Computational Sciences

在主要研究仪器（MRI）项目的支持下，迪肯大学化学和生物化学系将获得一个贝奥武夫集群。该设备将加强许多领域的研究，包括a)通过位点特异性结合和诱导DNA弯曲来控制基因表达的小型非蛋白药物的理论预测和最终合成；B)纳米技术新材料的开发；c)开发二氧化碳封存的解决方案。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。这些研究将对包括生物化学、材料科学和环境化学在内的许多领域产生重大影响。

With support from the Major Research Instrumentation (MRI) Program, the Department of Chemistry and Biochemistry at Duquesne University will acquire a Beowulf cluster. This equipment will enhance research in a number of areas including a) the theoretical prediction and ultimate synthesis of small nonprotein agents that control gene expression through site-specific binding and induced bending of DNA; b) development of new materials in nanotechnology; and c) development of a solution to carbon dioxide sequestration. 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, materials science and environmental chemistry.