Skip to main content
Home
Content

The Isborn Group

Secondary menu

  • Useful Links

Primary menu

  • HOME
  • Members
  • Research
  • Publications
  • News
  • About

About Us

  • isborn_group_get_together The Isborn group is using and developing quantum chemistry techniques to model and understand molecular electronic excitation, spectroscopy, and charge transfer in complex environments. These environments include chromophores in solvent, in an ionic solution, in a protein, or in disordered aggregates. Because of the large-scale nature of these calculations, we primarily use density functional theory (DFT) methods for our calculations, benchmarking against more accurate wave function methods to validate our techniques. We are also working to make standard DFT techniques more accurate by understanding the fundamental approximations and limitations of the methodology.

    Read More

Latest News

  • Karnamohit walks in graduation ceremony!

    May 12, 2023


    Christine got to hood the soon-to-be Dr. Ranka!

     

    Read More Karnamohit walks in graduation ceremony!
  • Ajay receives Award for Outstanding Service to the Grad Group!

    May 11, 2023

    ajay

  • JPCL cover! Machine learning the charges of water

    April 20, 2023

     

    Cover

    Check out Bowen's cool cover art! 

    Read More JPCL cover! Machine learning the charges of water
  • Machine learning the charges of water - collaboration with the Shi group published!

    April 17, 2023

    water

    Collaborative work with the Shi group, led by Bowen Han, is published in J. Phys. Chem. Lett.!  Rigid nonpolarizable water models with fixed point charges have been widely employed in molecular...

    Read More Machine learning the charges of water - collaboration with the Shi group published!
More

Recent Publications

  • Size-dependent errors in real-time electron density propagation
  • Incorporating Polarization and Charge Transfer into a Point-Charge Model for Water Using Machine Learning
  • Molecular polariton electroabsorption
  • Comparison of Linear Response Theory, Projected Initial Maximum Overlap Method, and Molecular Dynamics-Based Vibronic Spectra: The Case of Methylene Blue
  • Dynamic Learning of Correlation Potentials for a Time-Dependent Kohn-Sham System
  • Statistical learning for predicting density–matrix-based electron dynamics
More

University of California, Merced

5200 North Lake Rd. Merced, CA 95343 T: (209) 228-4400

  • © 2023
  • About UC Merced
  • Directions
  • Directory
  • Privacy/Legal
  • Site Feedback
  • UC Regents
  • Site List
Powered byOpenScholar®Admin Login