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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

  • Sapana's paper comparing static approaches for optical spectroscopy is published in J. Chem. Phys.!

    February 25, 2021

    In this JCP paper, Sapana worked with high school ACS SEED student Stacey Conley on computing Franck-Condon spectra in explicit solvent environments to compare three different approaches for modeling...

    Read More Sapana's paper comparing static approaches for optical spectroscopy is published in J. Chem. Phys.!
  • Can we model the charges for water?

    January 06, 2021

    In this collaborative paper published in JCTC with the Shi group, we systematically assess various electronic structure methods and charge models for assigning partial atomic charges to isolated...

    Read More Can we model the charges for water?
  • Our collaboration with Professor Harish Bhat to machine learn electron dynamics is published

    October 06, 2020

    Our paper, now published in the International Journal of Dynamics and Control, describes how we develop a computational method to learn a molecular Hamiltonian matrix from matrix-valued time series...

    Read More Our collaboration with Professor Harish Bhat to machine learn electron dynamics is published
  • Chemical Review of Real-Time Electronic Structure Theory

    August 31, 2020

    Christine teams up with Xiaosong Li, Niri Govind, Ken Lopata, and Eugene DePrince for this Chem. Rev. article. Read all about TDHF, TDDFT, TD-CI, TD-CC, TD-CAS!

    Read More Chemical Review of Real-Time Electronic Structure Theory
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