Evaluating thermodynamic equations of state for numerically simulated materials
Hi! My name is Katie and I’m majoring in Physics and Chemistry here at Cal. I am really excited about my research this summer because it combines those two subjects, which I love, as well as some math and computer science, which are also fun. My work falls under the scope of the Materials Project, a collaboration at Lawrence Berkeley National Laboratory that runs quantum mechanical simulations of many different materials on remote supercomputers and publishes the resulting data online and free to the public. By calculating just a few fundamental properties, we can discover a lot about how a certain material will behave, both on its own and in combination with others. I am examining how we can best predict the ways in which a material will change under variations in temperature and pressure – how it will shrink or expand, and at what point it will undergo phase transitions (transformations into entirely new structures). This information has countless possible applications, from basic materials science research, to geophysical studies, to battery engineering.
Message to Sponsor
- Major: Physics, Chemistry
- Mentor: Kristin Persson