Data for: Kinetic Monte Carlo simulations of solid-state photon upconversion quantitatively describe an anticorrelation between emission yield and threshold intensity due to FRET
https://doi.org/10.5878/s95m-7z37
The raw data and the scripts used to perform simulations for the article "Kinetic Monte Carlo simulations of solid-state photon upconversion quantitatively describe an anticorrelation between emission yield and threshold intensity due to FRET" by Krishnapriya Kunnumma Chelladath, Anton M. Berghuis, Hannah Tideland, Andrew J. Carrod and Karl Börjesson are here stored.
The data consist of:
Raw and processed absorption and emission spectra for various BODIPY and porphyrin films.
Dynamic and static emission quenching of BODIPY in presence of porphyrin in film.
Monte Carlo simulations
Scripts used for the Monte Carlo simulations
The first part of the filename indicate to which figure in the article that the data belongs to. The file ending describes what type of data that the file consist of:
".txt" tab delimited raw data file.
".svg" figure file, originally compiled using the Inkscape software.
".opju" figure file, made using the data in the corresponding ".txt" file, can be opened using he Origin software.
".zip" compressed (by 7-zip) output files from simulations. The script used for simulations is named "Sim_Script_Matlab.zip" and needs the sofware MatLab to run.
The simulation script consists of:
A main script "main_TTA_diffusion", from where the script is run
A file where all input data is defined "SimulationVariables"
Parameters can be swept using the "MakeSweepFilesJSON" file
Several functions that should not be changed
The simulation script generates an output folder containing all output data together with the variables used in the input data file.
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Department of Chemistry and Molecular Biology
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Citation:
Krishnapriya Kunnumma Chelladath, Anton M. Berghuis, Hannah Tideland, Andrew J. Carrod and Karl Börjesson
Kinetic Monte Carlo simulations of solid-state photon upconversion quantitatively describe an anticorrelation between emission yield and threshold intensity due to FRET
Chem, 2026
https://doi.org/10.1016/j.chempr.2026.103293
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