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Massively-Parallel Real-Time TDDFT Modules for Non-Equilibrium Electron Dynamics

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Version 3 2020-02-14, 19:38
Version 2 2020-02-14, 19:37
Version 1 2020-01-30, 15:06
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posted on 2020-02-14, 19:38 authored by Yosuke KanaiYosuke Kanai
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.

Funding

OAC-1740204 and OAC-1740219

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    NSF-CSSI-2020-TalkComputational Chemistry

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    CC BY 4.0

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