New Directions in the Study of Ice, Water and Interfacial Phenomena

俄亥俄州立大学的Sherwin J. Singer在冰的物理、热力学、介电性质和缺陷方面的研究获得了理论与计算化学项目的奖励。目前正在进行两大领域的研究。前者涉及从第一性原理研究冰的性质，而后者涉及研究一个重要的界面问题，即二氧化碳蒸汽/水界面。在这项研究中正在探索的具体主题包括PI的图不变方法的进一步发展，对新冰相的进一步探索，PI确定和理解冰的性质的想法的发展，以及使用计算工具来理解和解释冰中的离子和中性缺陷。第二个项目是二氧化碳蒸汽/水界面的研究，将与一个实验合作者共同进行。这项工作通过揭示水的基本性质而产生了更广泛的影响，水可以说是世界上最重要的溶剂。

Sherwin J. Singer of Ohio State University is supported by an award from the Theoretical and Computational Chemistry program for research on the physics of ice, its thermodynamics, dielectric properties, and its defects. Two broad areas of research are being done. The first involves a study of the properties of ice from first principles, while the second involves the study of an important interfacial problem, the carbon dioxide vapor/water interface. Specific topics which are being explored in this research include the further development of the PI's graph invariant approach, a further exploration of new ice phases, the development of the PI's ideas for determining and understanding the properties of ice, and the use of computational tools to understand and explain ionic and neutral defects in ice. The second project, the study of the carbon dioxide vapor/water interface, is be carried out in conjunction with an experimental collaborator. The work is having a broader impact by revealing fundamental properties of water, arguably the world's most important solvent.