MRI: Acquisition of a Shared Next-Generation Computer Cluster to Advance Molecular to Nanoscale Science and Engineering

凭借这项由主要研究仪器（MRI）和化学研究仪器和设施计划颁发的奖项，来自华盛顿大学的Anne麦考伊教授及其同事托马斯Dunning、李晓松、W. James Pfaendtner和马歇尔Reschke已经获得了一个多核微处理器的计算机集群。此次收购使计算科学家和工程师能够开发有效的编程技术，将计算工作量分布在微处理器内和微处理器之间的多个核心（处理器单元）上。安装的计算机集群推进了计算技术的使用，与来自物理科学（化学，生物化学和物理）和工程（化学，电气和生物工程）的整个校园的用户一起研究广泛的化学研究问题。这些研究人员共同的研究兴趣集中在分子和纳米材料，系统和过程。这种计算资源用于化学，应用数学和天文学的研究和课程教学，以培养本科生和研究生掌握最新的计算方法。贝尔维尤学院的学生也在一个推广项目中使用了这台计算机。该奖项旨在加强各级研究和教育，特别是华盛顿大学的研究项目，如（a）多维分子光谱学应用，（B）了解和预测含缺陷纳米材料的性质，（c）了解生物/纳米界面的结构和动力学，（d）使材料设计合理化;（e）推进化学、物理、材料科学和工程方面的若干其他项目。

With this award from the Major Research Instrumentation (MRI) and Chemistry Research Instrumentation and Facilities Programs, Professor Anne McCoy from the University of Washington and colleagues Thomas Dunning, Xiaosong Li, W. James Pfaendtner and Marshall Reschke have acquired a computer cluster with multicore microprocessors. The acquisition enables computational scientists and engineers to develop effective programming techniques for distributing the computational workload over multiple cores (processor units) both within a microprocessor and across microprocessors. The installed computer cluster advances the use of computational technology to study a broad range of chemistry research questions with users from across the campus from the physical sciences (chemistry, biochemistry and physics) and engineering (chemical, electrical and bioengineering). These researchers share research interests that focus on molecular and nanoscale materials, systems and processes. This computational resource is used in research and in course instruction in chemistry, applied mathematics and astronomy to train undergraduate and graduate students in up-to-date computational methods. The computer clsuter is also used in an outreach program with students at Bellevue College. The award is aimed at enhancing research and education at all levels, especially in research projects at the University of Washington such as (a) multi-dimensional molecular spectroscopy applications, (b) understanding and predicting properties of defect-containing nanomaterials, (c) understanding structure and dynamics at the bio/nano interface, (d) rationalizing the design of materials and (e) advancing a number of other projects in chemistry, physics, materials science and engineering.