Multiscale Models of Complex Materials
Our group works at the interface of theoretical chemistry, biology, physics, and applied mathematics. We aim to provide computational tools that have disruptive potential for our scientific communities.
We develop new theoretical and computational methods to study multiscale phenomena in artificial and biological materials. Our team members collaborate to write software that is scalable and maintainable, using a broad range of open-source tools.
We study mesoscale quantum dynamics in molecular materials. We explore multiscale structure-function relationships of bioenergetics in photosynthesis and respiration. We don't let traditional disciplinary boundaries stop us.
We are diligent, collegial, and creative scientists who value working in a diverse team. Some of the words we use to describe our aspirations for the group:
In this article we develop an adaptive approach to solving the hierarchy of pure states (HOPS) equations which provides a formally exact, size-invariant scaling algorithm for simulating exciton dynamics in molecular aggregates containing thousands of pigments.
As part of this project, we also released our first open-source code base for adaptive HOPS (adHOPS) calculations. Check it out!
We gratefully acknowledge funding support from