Acquisition of a computer cluster for wide range chemical applications and education

凭借化学研究仪器和设施：多用户(CRIF：MU)计划颁发的这一奖项，来自南卡罗来纳大学的John Dawson教授及其同事Richard Adams、Sophya Garashchuk、Vitaly Rassolov和Linda Shimizu将获得一个计算机集群。该奖项将加强各级的研究培训和教育，特别是在以下研究领域：(A)过渡金属簇合物的化学，(B)零点能量对甲烷反应活性的影响，(C)芳香族自由基的自旋性质，(D)大环尿素的多孔纳米反应器，以及(E)新的复杂发光氧化物的合成和表征。快速、现代的计算机集群对于满足活跃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。计算资源将为克拉夫林大学、南加州大学艾肯分校、纽伯里学院、艾伦大学和长老会学院等邻近学院提供研究、研究培训和研究拓展机会。

With this award from the Chemistry Research Instrumentation and Facilities: Multi-user (CRIF:MU) program, Professor John Dawson and colleagues Richard Adams, Sophya Garashchuk, Vitaly Rassolov and Linda Shimizu from University of South Carolina will acquire a computer cluster. The award will enhance research training and education at all levels, especially in areas of study such as (a) chemistry of transition metal cluster complexes, (b) effects of zero-point energy on reactivity of methane, (c) spin properties of aromatic radicals, (d) porous nanoreactors from macrocyclic urea, and (e) synthesis and characterization of new complex photoluminescent oxides.A cluster of fast, modern computers 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 the neighboring colleges such as Claflin University, USC Aiken, Newberry College, Allen University and Presbyterian College.