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Neural Networks for Prediction of Electronic Excitation Dynamics
Shapera, Ethan P.; Lee, Cheng-Wei
simulation
machine learning
molecular structures
high-throughput
DFT
Year
2024
Source Name
77552592-f0b9-4df2-bcd5-8f470026c26e
License
Creative Commons Attribution 4.0
Contacts
Ethan P Shapera (epshaper@buffalo.edu)
DOI
10.18126/y1j1-g019
View on Datacite
Get the Data
Dataset for "Neural Networks for Prediction of Electronic Excitation Dynamics". Contains rt-TDDFT data and descriptor files.