Computational study of water/vapor, ice/vapor and ice/water interfaces and their interaction with ions and trace atmospheric gases

化学系的环境化学科学（ECS）项目将支持西北大学Marcelo Carignano教授的研究项目。Carignano教授和他的学生开发了一个极化水模型，用于全原子模拟，研究水/蒸汽、冰/蒸汽和冰/水界面及其与离子、微量大气成分和污染物分子在与大气化学相关的温度范围内的相互作用，包括水过冷状态和冰。该项目将增加我们对水/蒸汽和冰/蒸汽界面在导致云电气化的化学反应中的作用的分子水平的理解，以及对冰/水界面的功能和反应性的理解，这是多种微生物有机体的自然栖息地。该项目将为渴望在环境科学前沿工作的学生提供良好的教育机会，包括一些来自代表性不足的群体的学生。

The Environmental Chemical Sciences (ECS) program of the Division of Chemistry will support the research program of Prof. Marcelo Carignano of Northwestern University. Prof. Carignano and his students develop a polarizable water model to be used in full atomistic simulations to study water/vapor, ice/vapor and ice/water interfaces and their interaction with ions, trace atmospheric components and pollutant molecules in a temperature range relevant to atmospheric chemistry, which includes the water supercooled regime and ice. The project will increase our molecular level understanding of the role of water/vapor and ice/vapor interfaces in chemical reactions leading to cloud electrification and of the functionality and reactivity of the ice/water interface, which is a natural habitat for a diverse range of microbial organisms. The project will provide excellent educational opportunities for students, including some from under represented groups, desiring to work at the forefront of environmental science.