Welcome! The Furche group is a diverse one, but we all have one thing in common: we're crazy about quantum chemistry and love exploring “what the electrons are really doing in molecules” 1).


Group party 12/6/2014 (Credit: Alex Le)

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.



  • Jason Yu receives the CRC Freshmen Chemistry Award, and Brian Nguyen receives the Hypercube Scholar Program Award of the Department of Chemistry

  • Watch the video abstract of our perspective on ab initio non-adiabatic dynamics

E. Tapavicza, G. Bellchambers, J. C. Vincent, F. Furche, Phys. Chem. Chem. Phys. 15 18336 (2013), doi:10.1039/C3CP51514A

  • Brian Nguyen was awarded the 2013/14 ACS Orange County Award: “This award recognizes an outstanding UCI chemistry undergraduate, either Sr. or Jr. status, who has excelled in the classroom and the laboratory during their career here, based on overall GPA, GPA in chem courses, and performance in research.”



  • The Evans group isolated and identified the first molecular complex of U2+ in collaboration with our group. This work just appeared in JACS


  • Jefferson E. Bates received the Lee and Smitrovich Awards of the Department of Chemistry and the Outstanding Contribution to the Chemistry Department – Honored by the School of Physical Sciences Award


  • Jae Hyun Kwon will begin undergraduate studies at Columbia University this Fall



  • Asbjorn Burow was awarded the first Tiburtius prize of the Berlin Universities



  • The group went camping in the San Jacinto Mountains. See pictures here





  • Congratulations to Robert Send for graduating and moving on to Germany: BASF SE! We are very proud of you!
  • Welcome! Mark Hilkert joined our group.

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