Our understanding of microscopic systems depends heavily on our ability to connect macroscopic observations to molecular pictures. Improving this connection will advance a wide variety of fields of inquiry.
Our research uses modern computational techniques to elucidate the structure and dynamics of complex molecular systems. We connect these observations directly to experiments via fruitful collaboration.
We use state-of-the-art supercomputing clusters and high performance python-wrapped computational chemistry software. This enables us to build complex models with simple interfaces.