We do more than run calculations; we develop and implement new electronic structure methods. The code we write usually becomes part of Turbomole, a suite of programs with thousands of users worldwide. To learn more about our work head on to our research page or browse our group publication list.

Because method development cannot be learned from books, we spend a lot of time working together and supporting one another. At the same time, most of us have our own pet projects. You can read more about these projects on our member pages. Our alumni move on to positions in large chemical companies or academia.

Scientific collaborations are important to us, whether inside the UCI Theoretical and Computational Chemistry Initiative, in the Department of Chemistry, or with groups throughout the world. We also participate in AirUCI, a multidisciplinary research institute dedicated to understanding and solving issues related to air pollution, climate change, water quality, and green technology.

Outside of quantum chemistry, we often appreciate the natural beauty around us by going on group hikes and camping trips. Pictures of some recent highlights (and low points) can be found on our activities page.

If you are interested in joining us, whether as an undergraduate or graduate student, or as a postdoc, please read more on our openings page.

This research is based upon work supported by the Department of Energy under Award DE-SC0018352, the National Science Foundation (NSF) under Award CHE-1800431, OAC-1835909; and Turbomole, GmbH.

News

Aug 20 20

We are searching for an assistant researcher with strong background in electronic structure and numerical methods.

Please apply here.

May 21 20

Kimberly Zhang Chosen as Beckman Scholar

Kimberly has been selected as 2020-2021 Beckman Scholar.

May 01 20

Kimberly Zhang Chosen for Pitts Undergraduate Scholarship

Kimberly has been chosen for the Pitts Undergraduate Scholarship.

Apr 06 20

Anteater Spotlight on Kimberly Zhang

Kimberly has been featured in the Anteater Spotlight of the School of Physical Sciences Newsletter.

Feb 28 20

Double Defense

Sree Ganesh Balasubramani and Saswata Roy have defended their theses and will join the Schwartz group and Hammes-Schiffer group respectively as postdoctoral research associates.

Feb 20 20

Jeffrey has joined our group.

To see all news, check out our news archive.