Purchase of Parallel Computer for Chemistry Research

化学研究仪器和设施项目的这一奖项将帮助西北大学化学系购买一台分布式存储并行计算机。该设备将加强以下领域的研究：并行局域密度和密度泛函电子结构计算、并行散射计算、动力学平均场研究和分子动力学计算。由快速、现代化的计算机工作站组成的工作站网络是满足化工部门计算需求的一种新途径。这种“计算机网络”还可以作为新的理论代码和算法的开发环境，并提供最先进的图形和可视化设施。

This award from the Chemistry Research Instrumentation and Facilities Program will assist the Department of Chemistry at the Northwestern University in the purchase of a distributed memory parallel computer. This equipment will enhance research in a number of areas including the following: parallelized local-density and density functional electronic structure calculations, parallel scattering calculations, dynamical mean-field studies and molecular dynamics calculations. A workstation network of fast, modern computer workstations is a new way to satisfy the computing needs of chemistry departments. Such a "computer network" also serves as a development environment for new theoretical codes and algorithms, and provides state-of-the-art graphics and visualization facilities.