Furche Research Group

[1] Robert S. Mulliken, G. N. Lewis Award Lecture, 1960, published in Vortex 21 (1960), 182.

“What the electrons are really doing in molecules" [1]

FF Group

Welcome to the Furche Research Group! We are an eclectic group of scientists focused on understanding the behavior of electrons in chemical systems. To do so, we adopt an interdisciplinary approach at the interface of chemistry, computer science, mathematics, and physics.

The Furche group engages in all aspects of theoretical science, including pen-and-paper method develpment, computational implementation, and application to interesting and chemically relevant systems. To learn more about our research endeavors, see the "Research" section.

As scholars, we promote a tradition of collaboration and intellectual support amongst ourselves and throughout the scientific community as a whole. Many members are engaged in team-based projects, both within the group and with other research organizations. You can read more about these projects on our member pages. Our alumni have taken positions in industry, data science, and academia.

The methods that we develop are generally incorporated into the Turbomole program package, a quantum chemistry code with thousands of users worldwide. To learn more about what we have implemented, or our current work, see our group publication list.

We are currently engaged in a number collaborations within the UCI Theoretical and Computational Chemistry Initiative as well as 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 enjoy group hiking and camping trips. Pictures of some recent highlights can be found on our activities page.

If you are interested in the group, whether as an undergraduate, graduate student, or postdoc, please contact us! More information can be found in the "openings" tab.

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.


Brian has received 2021 Dissertation Fellowship and the 2021 Faculty Endowed Fellowship.

Kimberly has received Chancellor's Award for Excellence in Undergraduate Research, Don L. Bunker Award, American Chemical Society Division of Physical Chemistry Award, and Nellie Ansley Reeves Campuswide Honors Collegium Thesis Award.

Kimberly has received Chancellor's Award of Distinction.

Kimberly Zhang will join MIT Chemistry for her graduate studies

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