A High Performance Computer and Graphics Facility for Research in Molecular and Materials Modeling

用于分子和材料建模研究的高性能计算机和图形设备

• 批准号: 9904242
• 负责人: Peter Monson
• 金额: $ 6.45万
• 依托单位: University of Massachusetts Amherst
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1999
• 资助国家: 美国
• 起止时间: 1999-06-01 至 2000-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9904242&HistoricalAwards=false
• 关键词: Performance; Computer; Graphics; Facility; Research

The investigators will purchase 3 Silicone graphics computer workstations and a 24-node Alphastation cluster (rated at 8 Gflops) in an Avalon configuration (developby by LANL). This hardware will allow them to run high-performance computer graphics and parallel computaiton codes. The PIs will employ that capability in several interdisciplinary areas: molecular modeling of fluids, molecular thermodynamics of fluid-solid equilibrium, multiscale molecular through continuum flow simulations, reactions in flows near solid surfaces, reaction kinetics, and catalysis. Their research in molecular and materials modeling is beneficial to the Chemical Engineering curricula at the undergraduate and graduate levels.

调查人员将在Avalon配置（由LANL开发）中购买3个硅胶图形计算机工作站和一个24节点Alphastation集群（额定8 Gflops）。这种硬件将允许他们运行高性能的计算机图形和并行计算代码。pi将在多个跨学科领域运用该能力：流体的分子建模、流固平衡的分子热力学、通过连续流模拟的多尺度分子、靠近固体表面的流动中的反应、反应动力学和催化。他们在分子和材料建模方面的研究对本科和研究生阶段的化学工程课程很有帮助。