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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 4 1 Updated Jun 13, 2025

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 Sep 23, 2025

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

Computational SI for 'Tetraperoxotitanates for High-Capacity Direct Air Capture of Carbon Dioxide.' doi: 10.1021/acs.chemmater.4c01795

2 Updated Sep 23, 2025

Computational SI for 'Direct observation of carbon dioxide adsorption and binding at the air/aqueous interface.' doi: 10.1093/pnasnexus/pgaf064

DIGITAL Command Language 2 Updated Sep 23, 2025

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

Shell 2 Updated Sep 23, 2025

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

Jupyter Notebook 78 12 Updated Nov 3, 2025