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

这项研究主要涉及发展和 应用理论、计算机模拟和实验 研究广泛物理性质的技术 复杂的系统。 目前主要有三个方面， 兴趣：计算机模拟方法预测 相变;胶束系统的性质;和稳定性 生物大分子。 超级计算机技术的进步正在彻底改变 化学科学 随着计算能力的新水平 一旦达到，预测能力的新水平就变得可以想象。 这项研究将构成一个领先的优势， 科学家和工程师来预测和控制 物质的宏观性质从知识的 分子的分子结构 >____________________________> >____________> 项目负责人签名 日期//

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//