Our real-time TDDFT tutorial review article is now online | Isborn Group

February 09, 2016

Makenzie and Christine have put together a tutorial review on using the real-time TDDFT method for modeling electron dynamics.

See the IJQC article here: http://onlinelibrary.wiley.com/doi/10.1002/qua.25096/full

Latest News

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.!

July 31, 2024
Ajay's paper is published in JCP

July 29, 2024

This manuscript compares simulated absorption and fluorescence spectra employing the nuclear ensemble approach that captures chromophore-solvent interactions, the implicit solvent Franck-Condon...

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Undergrad Joe Kelleher joins the group

July 15, 2024

Undergrad Chem major Joe Kelleher joins the group, working this summer through the UROC program. After only one month of research, Joe presents his work at the Mercury conference, explaining how...

Read More Undergrad Joe Kelleher joins the group

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