Purchase of a Parallel Super Computer

化学研究仪器和设施计划的这一奖项将帮助宾夕法尼亚州立大学化学系购买使用IBM SP2的并行计算设施。 该设备将加强若干领域的研究，包括：（a）量子化学，（B）千电子伏粒子轰击引起的化学反应，（c）溶剂化和溶剂对化学反应的影响，（d）融合肽和融合抑制肽与模型脂质双层的相互作用，以及（e）分子液体和吸收相的模拟。 由快速、现代化的计算机工作站组成的工作站网络是满足 化学系的计算需求。 这样的“计算机网络”也可以作为 开发环境的新的理论代码和算法，提供国家的最先进的图形和可视化设施，并支持研究国家的最先进的应用程序的并行处理。

This award from the Chemistry Research Instrumentation and Facilities Program will assist the Department of Chemistry at the Pennsylvania State University in the purchase of a parallel computational facility using IBM SP2. This equipment will enhance research in a number of areas including the following: (a) Quantum Chemistry, (b) Chemical Reactions Induced by keV Particle Bombardment , (c) Solvation and Solvent Effects on Chemical Reaction, (d) Interaction of Fusion Peptides and Fusion Inhibiting Peptides with Model Lipid Bilayers, and (e) Simulations of Molecular Liquids and Absorbed Phases. 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, provides state-of-the-art graphics and visualization facilities and supports research in state-of-the-art applications of parallel processing.