Locating and controlling energy transport in proteins, clusters and nanoporous materials

内华达大学里诺分校的David Leitner获得了理论和计算化学项目的奖励，他开发和应用计算方法来定位蛋白质、簇和纳米多孔材料中的能量传输途径。通过识别蛋白质、纳米多孔材料和团簇中的能量流动通道网络，莱特纳小组研究了它们在变构转变中的作用步骤；2)纳米尺度的热输运；3)构象变化动力学。这项研究汇集了一系列学科的原理，包括生物物理学、材料学和理论物理化学。它解决了涉及蛋白质、玻璃、纳米多孔材料和团簇的重要计算问题，包括研究小型集成电路中使用的材料热性能的方法的开发和应用，其中的进展具有潜在的经济影响

David Leitner of the University of Nevada, Reno is supported by an award from the Theoretical and Computational Chemistry program to develop and apply computational methods to locate pathways for energy transport in proteins, clusters and nanoporous materials. By identifying networks of channels for energy flow in proteins, nanoporous materials, and clusters, the Leitner group examines their role 1) steps involved in an allosteric transition; 2)thermal transport on the nanoscale; and 3) kinetics of conformational change. This research brings together principles developed in a range of disciplines, including biophysical, materials and theoretical physical chemistry. It addresses important computational problems involving proteins, glasses, nanoporous materials and clusters, including development and application of methods to study thermal properties of materials used in small integrated circuits, where progress has potential economic impact