Vibrational dynamics of glasses and large molecules and its influence on thermal conduction and reaction kinetics

内华达大学雷诺分校的大卫·莱特纳得到了化学系理论和计算化学项目的资助，以开展玻璃和大分子振动动力学的研究。目的是了解振动运动对热传导和反应动力学的影响。这项工作包括两个部分：非晶态SiO_2和非晶态冰中热输运的计算；以及探索能量流对生物小分子构象异构化动力学的影响。该项目延续了由国际和平研究所开始并由美国国家科学基金会通过ITR奖支持的一系列研究，除了增加我们对基础物理化学的理解外，还对大气化学和生物物理学领域产生了更广泛的影响。

David Leitner of the University of Nevada - Reno is supported by a grant from the Theoretical and Computational Chemistry program within the Division of Chemistry to carry out research on the vibrational dynamics of glasses and large molecules. The aim is to understand the influence of vibrational motions on thermal conduction and reaction kinetics. The work has two parts: the computation of thermal transport in amorphous SiO2 and amorphous ice; and an exploration of the influence of energy flow on the kinetics of conformational isomerization of small biomolecules. The project continues a line of research begun by the PI and supported by NSF through an ITR award and is having a broader impact on the fields of atmospheric chemistry and biophysics, in addition to increasing our understanding of fundmental physical chemistry.