tjz21

CO2_SFG_DFT

CV_symmetry_breaking

DAC_metals

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

DAC_peroxotitanates

DAC_peroxovanadates

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

DFT_PIB_Code

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

Learning_material

Jupyter notebooks containing interactive learning materials for optical spectroscopy.

MPSDynamics_GPU

Proflavine_dual_fluorescence

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.

Spectroscopy_python_code

tjz21/DFT_PIB_Code

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

tjz21/Spectroscopy_python_code

tjz21/Learning_material

Jupyter notebooks containing interactive learning materials for optical spectroscopy.

tjz21/CO2_SFG_DFT

tjz21/CV_symmetry_breaking

tjz21/DAC_metals

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

tjz21/DAC_peroxotitanates

tjz21/DAC_peroxovanadates

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

tjz21/MPSDynamics_GPU

tjz21/Proflavine_dual_fluorescence

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.

tjz21/quantum_dynamics_CI_pyrazine

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

tjz21/Castep_Tools

Scripts for processing CASTEP output files.

tjz21/tjz21