Presidential Young Investigators Award: Advanced Techniquesfor Physical Property Prediction in Complex Systems

总统青年研究员奖：复杂系统中物理性质预测的先进技术

• 批准号: 8958640
• 负责人: Athanassios Panagiotopoulos
• 金额: $ 21.2万
• 依托单位: Cornell University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1989
• 资助国家: 美国
• 起止时间: 1989-07-01 至 1994-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8958640&HistoricalAwards=false
• 关键词: Presidential; Young; Investigators; Award; Advanced

This research is concerned primarily with development and application of theoretical, computer simulation, and experimental techniques for the study of a broad range of physical properties of complex systems. There are currently three main areas of interest: computer simulation methodologies for prediction of phase transitions; properties of micellar systems; and stability of biomacromolecules. Advances in supercomputer technology are revolutionizing the chemical sciences. As new levels of computational power are reached, new levels of predictive capability become imaginable. This research will constitute a leading edge in the ability of scientists and engineers to predict and to control the macroscopic properties of matter from a knowledge of the molecular structure of the molecules. >____________________________> >____________> Program Director's Signature Date//

本研究主要关注和发展 应用理论、计算机模拟和实验 技术范围广泛的物理性质的研究 复杂的系统。目前有三个主要的兴趣领域：预测相变的计算机模拟方法；胶束体系的性质；以及生物大分子的稳定性。超级计算机技术的进步正在使化学科学发生革命性的变化。随着计算能力达到新的水平，新的预测能力水平成为可以想象的。这项研究将使科学家和工程师能够从分子的分子结构知识中预测和控制物质的宏观特性。​>____________________________> >____________> 项目负责人的签名 / /日期