Acquisition of a Computational Resource for the Department of Chemistry at the University of North Texas

根据化学研究仪器和设施：多用户计划（CRIF:MU）的这份合同，北德克萨斯大学化学系将获得一个由16节点（加上一个主节点）计算机组成的研究计算集群，该计算机具有大容量的数据处理和存档能力。所有节点都将通过千兆以太网连接。该计算机集群将成为该机构高级科学计算与建模中心（CASCaM）计算金字塔的顶点。计算机集群将用于计算各种研究领域的化学兴趣，包括大气化学、多相催化、导电聚合物的电子性质、表面光谱学和反应性、热化学、高精度计算方法、有机化合物的键合、锕系化学和材料化学。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。计算资源将允许研究、研究培训和研究拓展机会。

With this award from the Chemistry Research Instrumentation and Facilities: Multi User program (CRIF:MU), the Department of Chemistry at the University of North Texas will acquire a research computing cluster composed of a 16-node (plus a master node) computer with a quad-processor with a large capacity for data processing and archiving. All nodes will be connected with Gigabyte Ethernet. This computer cluster will be the capstone of the CASCaM (Center for Advanced Scientific Computing and Modeling) computing pyramid at this institution. The computer cluster will be used for calculations of chemical interest in a variety of research areas involving atmospheric chemistry, heterogeneous catalysis, electronic properties of conducting polymers, surface spectroscopy and reactivity, thermochemistry, high accuracy computational methods, bonding in organic compounds, actinide chemistry and materials chemistry. 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. The computing resource will permit research, research training, and research outreach opportunities.