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Jupyter notebooks containing interactive learning materials for optical spectroscopy.

Jupyter Notebook 3 Updated Jul 21, 2022
Smarty 2 Updated Jan 18, 2024
Julia 2 Updated Oct 14, 2024

Publication data for the publication "Environmentally driven symmetry-breaking quenches dual fluorescence in proflavine" by Kye E. Hunter, Yuezhi Mao, Alex W. Chin, and Tim J. Zuehlsdorff.

Python 1 Updated Feb 27, 2024

Computational SI for 'Implementing Tetraperoxovanadates as Direct Air Carbon Capture Materials.' doi: 10.1039/D3SC05381D

DIGITAL Command Language 2 Updated Mar 11, 2024

Publication data for: Computing linear optical spectra of molecules in complex environments on Graphics Processing Units using molecular dynamics simulations and tensor-network approaches

Python 1 Updated Jun 27, 2024
DIGITAL Command Language 2 Updated Sep 4, 2024

Computational SI for 'Electronic Structure and CO2 Reactivity of Group IV/V/VI Tetraperoxometalates.' doi: 10.1021/acs.jpca.4c02927

Shell 2 Updated Sep 29, 2024

Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)

Jupyter Notebook 63 10 Updated Dec 2, 2024