Is Pure Water a Mixture?
Water is simultaneously the most common liquid on earth and the weirdest, judging from the variety of its anomalous properties. For example, water has a density maximum at 4 degree Celsius, while other simple liquids just expand on heating. The “weird” nature of water may be explained if it is seen as a mixture of two different structures. However, the two structures have not been elucidated in scientific literature. In this project, we will establish methods to classify and understand the two possible types of molecular arrangements in liquid water. Several subprojects are possible: (1) Can we use machine-learning clustering methods to tell the two types of molecular arrangements in water? (2) Can we elucidate the geometrical structure of these two arrangement types? (3) What are the origins of the two arrangement types? This project involves a range of exploration efforts, including methods in geometry, machine learning, and chemistry.
Besides this project, you will be also considered for other projects in the group. We are also exploring how water interacts with small molecules, and how water organize themselves at the interfaces.
Essay prompt (please address the following in 1-2 paragraphs):
- What interests you in the project?
- What experience do you have with chemistry, physics, computer science, or scientific writing?
- What do you hope to get out of this research experience? What are your career goals?
The water puzzle is an important and intriguing question that is still under much debate. This is also an opportunity to work at the interface between CS, math, physics, and chemistry. You will learn to develop codes to analyze complex systems, and figure out ways to discover the scientific order in the messy liquid environment (each molecule is doing its own dance!). Many students have contributed their own ideas to this project!