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  4. July 2023

News

Collaboration with Tom Markland's group published in JPC Letters

July 17, 2023

 

 "Elucidating the Role of Hydrogen Bonding in the Optical Spectroscopy of the Solvated Green Fluorescent Protein Chromophore: Using Machine Learning to Establish the Importance of High-Level...

Read More Collaboration with Tom Markland's group published in JPC Letters

Karnamohit defends his dissertation!

July 14, 2023

Congrats to Dr. Ranka! Good luck in your postdoc at LBNL!

2023 TDDFT and Excited States Summer School and Workshop

July 05, 2023

Christine is co-organizing the summer school and workshop again, with many awesome instructors, students, and presenters in attendance. 

 

 

Read More 2023 TDDFT and Excited States Summer School and Workshop

Latest News

  • Two new postdocs join the group - Welcome Ahmed and Chamikara!

    July 15, 2025

    Dr. Ahmed Elkamshishy got his Ph.D. at Purdue University working with Chris Greene. He will be working with Christine and Professor Harish Bhat in Applied Math to develop models for incorporating...

    Read More Two new postdocs join the group - Welcome Ahmed and Chamikara!
  • Darwin is awarded an NSF Graduate Research Fellowship! Congrats!

    June 15, 2025
  • Andrew is heading to PNNL, while Sayan, Darwin, and Joe head to a MolSSI workshop.

    June 01, 2025

    Andrew is spending the summer at PNNL working with Britta Johnson. He will be working with i-PI to incorporate PIMD within a QM/MM framework.  

    Sayan, Darwin, and Joe head to Cal Poly for a MolSSI...

    Read More Andrew is heading to PNNL, while Sayan, Darwin, and Joe head to a MolSSI workshop.
  • Paper published with the Markland group on 2DES simulations using ML MD.

    May 28, 2025

    2des

    In this paper published in JPC Lett, we show that by using an equivariant transformer-based machine learning architecture trained with only 2500 ground state and 100 excited state electronic...

    Read More Paper published with the Markland group on 2DES simulations using ML MD.
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