This projects studies the role of magnetism at the nanoscale. Magnetism is a quantum effect visible at macroscale, and is used for many purposes technologically. In addition to the familiar permanent magnets, magnetism is important in new more efficient spin-‐based electronics, high temperature superconductivity, and heating and cooling systems using magnetic phase transitions. Magnetism arises from the combination of quantum effects and the interaction between electrons. Studying magnetism in materials requires us to calculate the properties of a manybody system of quantum particles at the nanoscale, and build models from the bottom up of the magnetic behavior. The more reliable these models, the more powerful the control over magnetism, which enables applications such as those listed above.
This project uses the Mira supercomputer and quantum Monte Carlo (QMC) techniques to directly simulate quantum electrons interacting with one another to create magnetism. The goal is to investigate to what extent the QMC techniques can improve our description of magnetism, with final goal of developing quantitative models of magnetism. The outcome of this project is an improved understanding of the behavior of magnetic materials and will make a step forward in computer-aided design of next-generation materials.