Accurate quantum chemistry in the condensed phase.


Developing practical new theoretical models for describing non-covalent interactions and predicting the structures and properties of molecular crystals.

News Archive

  • Nov 2023: Check out our new Chem Sci perspective article on crystal structure prediction.

  • Nov 2023: We have a new Acc. Chem. Res. on our dispersion-corrected MP2 models.

  • July 2023: New JPC Letters paper on how crystal packing drives photomechanical response.

  • Mar 2023: Prof. Beran gave a tutorial talk on Quantum Chemistry for the ACS COMP undergrad forum. Slides here.

  • Dec 2022: We can predict photomechanical response from first principles!

  • Dec 2022: Cameron defended his PhD and is off to work at BMS!

  • June 2022: Cameron has started a summer internship at HRL in Malibu.

  • June 2022: Pablo defended his PhD and will work as a postdoc at Stanford.

  • April 2022: Pablo won an NSF MP2-Ascend postdoctoral fellowship!

  • Jan 2022: Our ROY paper was selected as "Pick of the Week" by Chemical Science.

  • Fall 2021: Pablo won a DOE SCGSR fellowship to work with Victor Fung at Oak Ridge National Labs.

  • Dec 2020: Chandler defended his PhD and will start working for Xtalpi shortly!

  • July 2020: Chandler's CG&D paper on conformational polymorphs was chosen for the ACS Editor's Choice list.

  • June 2020: Congratulations to Watit for completing his PhD!

  • Jan 2020: Chandler's paper on ranking conformational polymorphs correctly was accepted in Chemical Science.

  • Spring 2019: Congratulations to Dominique & Jessica for defending their PhD theses and securing postdocs in the Bay Area!

  • May 2018: Ctirad's phase diagram prediction paper is the Chem Sci Pick of the Week for May 2!

  • April 2018: Ctirad successfully predicted the polymorph phase diagram for methanol with 0.5 kJ/mol accuracy. That's an unprecedented achievement!

  • Sept 2017: Our new Chemical Science paper argues that long-accepted parts of the CO2 phase diagram needs to be re-drawn.

  • Aug 2017: Josh has started as a faculty member at Mt. San Jacinto College

  • Apr 2017: Prof. Beran received the 2016-17 UCR Distinguished Teaching Award from the Academic Senate!

  • Aug 2016: Prof. Beran received the 2016 ACS COMP Emerging Technologies Award for the group's work on NMR crystallography at the Fall ACS meeting.

  • July 2016: Prof. Beran gave a Telluride Town Talk on molecular crystal polymorphism.

  • March 2016: Yoni successfully defended his PhD thesis. Congratulations!

  • Sept 2015: Josh successfully defended his PhD thesis. Congratulations!

  • June 2015: Yuanhang successfully defended his PhD thesis. Congratulations!

  • June 2014: Josh received first place in the Theory, Experiment, and Computations section of the 95th Annual Pacific Division AAAS meeting for his presentation "Augmenting NMR Crystallography through Fragment Methods."

  • May 2014: Josh won the campus Distinguished Teaching Award!

  • Sept 2013: Kaushik's study of ice XV was published in J. Phys. Chem. Lett.

  • Aug 2013: Kelly's communication on coarse-graining was published in J. Chem. Phys.

  • July 2013: Kelly and Kaushik successfully defendend their PhD theses. Congratulations!

  • Jan 2013: Shuhao's Angewandte Chemie paper on boron carbides was selected as a "hot article" by the editors!

  • June 2012: Prof. Beran received the OpenEye Outstanding Junior Faculty Award from the ACS COMP division.

  • May 2012: The PCCP themed issue on fragment and local correlation methods guest-edited by Hirata and Beran is out.

  • May 2012: Yin and Josh both received Outstanding TA awards! Congratulations

  • Feb 2012: Kaushik's uracil collaboration made the cover of PCCP!

  • May 2011: Prof. Beran was named 2011 Professor of the Year by the University Honors Program for his teaching and research mentoring.