ITR: Large Scale Quantum Mechanical Simulations of Nanomechanics

ITR：纳米力学的大规模量子力学模拟

• 批准号: 0221916
• 负责人: Madhu Menon
• 金额: $ 39.48万
• 依托单位: University of Kentucky Research Foundation
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2002
• 资助国家: 美国
• 起止时间: 2002-09-15 至 2006-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0221916&HistoricalAwards=false
• 关键词: ITR; Large; Scale; Quantum; Mechanical

EIA-0221916Menon, MadhuUniversity of KentuckyTITLE: ITR Large Scale Quantum Mechanical Simulations of NonomechanicsLarge scale quantum mechanical simulations of nanomechanics of carbonnanotubes involving atoms in excess of 10,000 is underway using acollaborative effort involving material and computerscientists. Parallel software tools are being developed to accomplishthis. The tools are based on a novel pipelined, parallel architecturedesigned to harness grid computing. The goal of the simulations is tostudy the potential benefits of nanomechanical applications of carbonnanotubes and use the results to guide experimental investigations.

EIA-0221916Menon，Madhu 肯塔基大学标题：ITR 非力学大规模量子力学模拟涉及超过 10,000 个原子的碳纳米管纳米力学的大规模量子力学模拟正在材料和计算机科学家的共同努力下进行。正在开发并行软件工具来实现这一目标。 这些工具基于一种新颖的流水线、并行架构，旨在利用网格计算。 模拟的目的是研究碳纳米管纳米力学应用的潜在好处，并利用结果指导实验研究。