10.6084/m9.figshare.11771115.v3
Yosuke Kanai
Yosuke
Kanai
Massively-Parallel Real-Time TDDFT Modules for Non-Equilibrium Electron Dynamics
figshare
2020
NSF-CSSI-2020-Talk
Computational Chemistry
2020-02-14 19:38:02
Poster
https://figshare.com/articles/poster/Massively-Parallel_Real-Time_TDDFT_Modules_for_Non-Equilibrium_Electron_Dynamics/11771115
Our goal is to build, test, and broadly disseminate new software modules for the real-time time-dependent density functional theory (RT-TDDFT) component in the massively parallel open-source Qb@ll code, to mitigate two most pressing limitations.