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

俄亥俄州州立大学的舍温·J·辛格因对冰的物理、热力学、介电性质及其缺陷的研究而获得理论与计算化学项目的奖励。 目前正在进行两个广泛的研究领域。 第一个涉及到从第一原理的冰的性质的研究，而第二个涉及到一个重要的界面问题，二氧化碳蒸气/水界面的研究。 正在探讨的具体议题，在这项研究中，包括进一步发展的PI的图形不变的方法，进一步探索新的冰相，发展的PI的想法，确定和理解冰的性质，并使用计算工具来理解和解释离子和中性缺陷冰。 第二个项目是研究二氧化碳蒸气/水的界面，将与一名实验合作者一起进行。 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.