Purchase of a Parallel Super Computer

化学研究仪器和设施项目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。该设备将加强以下领域的研究：(A)量子化学，(B)kev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工部门计算需求的一种新途径。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。

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.