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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

  • Adding memory to electron propagation - published in Journal of Mathematical Physics

    January 15, 2025

    rdm

    In this paper, we shed light on the memory-dependence of 1-electron reduced density matrices derived from time-dependent configuration interaction (TDCI). Though time-dependent density functional...

    Read More Adding memory to electron propagation - published in Journal of Mathematical Physics
  • Paper with Harish and Prachi is published in APL Machine Learning and chosen for the cover.

    December 01, 2024

    cover

  • Collaboration with Nandini Ananth on GPU-Accelerated NAMD published in JCP

    August 28, 2024

    This JCP article showcases our work collaborating with Nandini Ananth's group to  accelerate the LSC-IVR nonadiabatic dynamics method by developing an interface with TeraChem. Code available on GitHub...

    Read More Collaboration with Nandini Ananth on GPU-Accelerated NAMD published in JCP
  • Time for Ajay to defend his Ph.D.! Then he heads off to a postdoc at LANL with Sergei Tretiak.

    July 31, 2024

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