Ultraslow Dynamics and Ultrafast Spectroscopy in Liquids, with Connections to Thermodynamics

波士顿大学的托马斯凯斯得到了理论和计算化学项目的资助，继续他对玻璃形成液体动力学的研究。 两个领域的研究正在进行中;第一个涉及的发展的势能景观的玻璃材料中的超低速动力学;第二个涉及的发展理论的超快非线性光谱在液体中。 以前NSF对Keyes实验室研究的资助集中在开发一种涉及瞬时简正模（INM）的方法。 目前的项目超越了这一点，将工作扩展到其他基于潜在能源景观（PEL）的方法。 凯斯正在使用一种“综合理论”的方法来研究玻璃形成液体，这种方法几乎不需要或根本不需要模拟。这项工作预计将产生更广泛的影响，除了研究生培训，主要是通过它对我们理解复杂物质的影响。 这将导致材料科学研究和我们对生物科学分子基础的理解的改进。

Thomas Keyes of Boston University is supported by an award from the Theoretical and Computational Chemistry Program to continue his studies of dynamics in glass forming liquids. Two areas of research are being carried out; the first involves the development of a potential energy landscape view of ultraslow dynamics in glassy materials; the second involves the development of theories for ultrafast nonlinear spectroscopy in liquids. Previous NSF fundeing for research in Keyes' lab focused on the development of a method involving instantaneous normal modes (INM). The current project goes beyond that, extending the work to other potential energy landscape (PEL)-based approaches. Keyes is using a "comprehensive theory" approach to the study of glass forming liquids which requires little or no simulation.This work is expected to have a broader impact, in addition to graduate training, primarily through its impact on our understanding of complex matter. This will result in improvements in both materials science research and our understanding of the molecular basis of the biological sciences.