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Author Organization: Max Planck Institute for Chemistry Study Type: simulation/modelling

1 to 10 of 24 Results

ACROSS_Mecca_model_output May 23, 2025 Sander, Rolf; Andersen, Simone Thirstrup, 2025, "ACROSS_Mecca_model_output", https://doi.org/10.17617/3.NZ3XZG, Edmond, V1 Box model output when optimizing agreement between modelled and measured peroxycarboxylic nitric anhydrides during the ACROSS campaign. 9 days of spin-up time was used to ensure steady state of all trace gasses not constrained in the model.
Code and data for 'Improved vapor pressure predictions using group contribution-assisted graph convolutional neural networks (GC2NN)' Mar 19, 2025 Krueger, Matteo; Berkemeier, Thomas, 2025, "Code and data for 'Improved vapor pressure predictions using group contribution-assisted graph convolutional neural networks (GC2NN)'", https://doi.org/10.17617/3.GIKHJL, Edmond, V1 We propose a novel approach to predict saturation vapor pressures using group contribution-assisted graph convolutional neural networks (GC2NN), which use both, molecular descriptors like molar mass and functional group counts, as well as molecular graphs containing atom and bond features, as representations of molecular structure. Molecular graphs...
Atmospheric health burden across the century and the accelerating impact of temperature compared to pollution Oct 2, 2024 Pozzer, Andrea; Steffens, Brendan; Bacer,Sara, 2024, "Atmospheric health burden across the century and the accelerating impact of temperature compared to pollution", https://doi.org/10.17617/3.ITPOI5, Edmond, V1 Anthropogenic emissions alter atmospheric composition and therefore the climate, with implications for air pollution- and climate-related human health. Mortality attributable to air pollution and non-optimal temperature is a major concern, which is subject to change in the future under different climate change and socioeconomic scenarios. The goal...
Supporting data for "Low Tropospheric Ozone Over the Indo‐Pacific Warm Pool Related to Non‐Electrified Convection" Oct 2, 2024 Nussbaumer, Clara M; Andrea Pozzer; Michael Hewson; Linda Ort; Bianca Krumm; Joseph Byron; Jonathan Williams; Philipp Joppe; Florian Obersteiner; Andreas Zahn; Jos Lelieveld; Horst Fischer, 2024, "Supporting data for "Low Tropospheric Ozone Over the Indo‐Pacific Warm Pool Related to Non‐Electrified Convection"", https://doi.org/10.17617/3.EBCL3D, Edmond, V1 This is the supporting dataset for the manuscript draft titled "Low Tropospheric Ozone Over the Indo‐Pacific Warm Pool Related to Non‐Electrified Convection".
Rising atmospheric levels of fine particulate matter reduce the degree of linear polarisation of light Sep 15, 2024 Pozzer, Andrea; Cho, Yoori, 2024, "Rising atmospheric levels of fine particulate matter reduce the degree of linear polarisation of light", https://doi.org/10.17617/3.K7ZDG5, Edmond, V1 Many insects utilise optical information in linearly polarised light for navigation, with the degree of linear polarisation (DoLP) determining whether the ‘visibility’ of such optical information is available to them. However, changes in degree of linear polarisation in response to increased atmospheric levels of fine particulate matter (PM2.5) are...
Code and data for the manuscript 'A numerical compass for experiment design in chemical kinetics and molecular property estimation' Mar 22, 2024 Krueger, Matteo; Berkemeier, Thomas, 2023, "Code and data for the manuscript 'A numerical compass for experiment design in chemical kinetics and molecular property estimation'", https://doi.org/10.17617/3.D5PCQK, Edmond, V3 The numerical compass (NC) method integrates kinetic models, global optimization, ensemble methods, and machine learning to identify experimental conditions with the greatest potential to constrain kinetic parameters. The approach is based on the quantification of model output variance in an ensemble of solutions that agree with experimental data....
Measurement data of ozone pollution in Beijing Oct 13, 2023 Wang, Wenjie, 2022, "Measurement data of ozone pollution in Beijing", https://doi.org/10.17617/3.LEFS4A, Edmond, V5 Reference data for paper "Precise ozone mitigation strategy from the perspective of atmospheric oxidation capacity". When using the data, please refer to the paper mentioned above. If further data needed, please contact the corresponding authors.
Data on manuscript 'Global organic and inorganic aerosol hygroscopicity and its effect on radiative forcing' Oct 10, 2023 Pöhlker, Christopher, 2023, "Data on manuscript 'Global organic and inorganic aerosol hygroscopicity and its effect on radiative forcing'", https://doi.org/10.17617/3.HG0GHF, Edmond, V1 This collection contains data for the paper "Global organic and inorganic aerosol hygroscopicity and its effect on radiative forcing" (Pöhlker et al., 2023, doi:10.1038/s41467-023-41695-8 ). When using the data, please refer to the paper mentioned above. If further data are needed, please contact the corresponding author. The files contain the data...
Simulated global ultrafine particle (UFP) concentrations Sep 25, 2023 Kohl, Matthias; Pozzer, Andrea, 2023, "Simulated global ultrafine particle (UFP) concentrations", https://doi.org/10.17617/3.7945XI, Edmond, V1 Numerical simulation of global ultrafine particle (UFP; particulate matter with diameter < 0.1 um) concentrations with the ECHAM/MESSy Atmospheric Chemistry model (EMAC) for the year 2015. The simulations are available at two different horizontal resolutions: model resolution (1.875°x1.875°) and downscaled using emission databases as proxies (0.1°x...
Data-driven aeolian dust emission scheme for climate modelling - code and data Apr 6, 2023 Klingmüller, Klaus, 2023, "Data-driven aeolian dust emission scheme for climate modelling - code and data", https://doi.org/10.17617/3.XPDIES, Edmond, V1

ACROSS_Mecca_model_output

May 23, 2025

Sander, Rolf; Andersen, Simone Thirstrup, 2025, "ACROSS_Mecca_model_output", https://doi.org/10.17617/3.NZ3XZG, Edmond, V1

Box model output when optimizing agreement between modelled and measured peroxycarboxylic nitric anhydrides during the ACROSS campaign. 9 days of spin-up time was used to ensure steady state of all trace gasses not constrained in the model.

Code and data for 'Improved vapor pressure predictions using group contribution-assisted graph convolutional neural networks (GC2NN)'

Mar 19, 2025

Krueger, Matteo; Berkemeier, Thomas, 2025, "Code and data for 'Improved vapor pressure predictions using group contribution-assisted graph convolutional neural networks (GC2NN)'", https://doi.org/10.17617/3.GIKHJL, Edmond, V1

We propose a novel approach to predict saturation vapor pressures using group contribution-assisted graph convolutional neural networks (GC2NN), which use both, molecular descriptors like molar mass and functional group counts, as well as molecular graphs containing atom and bond features, as representations of molecular structure. Molecular graphs...

Atmospheric health burden across the century and the accelerating impact of temperature compared to pollution

Oct 2, 2024

Pozzer, Andrea; Steffens, Brendan; Bacer,Sara, 2024, "Atmospheric health burden across the century and the accelerating impact of temperature compared to pollution", https://doi.org/10.17617/3.ITPOI5, Edmond, V1

Anthropogenic emissions alter atmospheric composition and therefore the climate, with implications for air pollution- and climate-related human health. Mortality attributable to air pollution and non-optimal temperature is a major concern, which is subject to change in the future under different climate change and socioeconomic scenarios. The goal...

Supporting data for "Low Tropospheric Ozone Over the Indo‐Pacific Warm Pool Related to Non‐Electrified Convection"

Oct 2, 2024

Nussbaumer, Clara M; Andrea Pozzer; Michael Hewson; Linda Ort; Bianca Krumm; Joseph Byron; Jonathan Williams; Philipp Joppe; Florian Obersteiner; Andreas Zahn; Jos Lelieveld; Horst Fischer, 2024, "Supporting data for "Low Tropospheric Ozone Over the Indo‐Pacific Warm Pool Related to Non‐Electrified Convection"", https://doi.org/10.17617/3.EBCL3D, Edmond, V1

This is the supporting dataset for the manuscript draft titled "Low Tropospheric Ozone Over the Indo‐Pacific Warm Pool Related to Non‐Electrified Convection".

Rising atmospheric levels of fine particulate matter reduce the degree of linear polarisation of light

Sep 15, 2024

Pozzer, Andrea; Cho, Yoori, 2024, "Rising atmospheric levels of fine particulate matter reduce the degree of linear polarisation of light", https://doi.org/10.17617/3.K7ZDG5, Edmond, V1

Many insects utilise optical information in linearly polarised light for navigation, with the degree of linear polarisation (DoLP) determining whether the ‘visibility’ of such optical information is available to them. However, changes in degree of linear polarisation in response to increased atmospheric levels of fine particulate matter (PM2.5) are...

Code and data for the manuscript 'A numerical compass for experiment design in chemical kinetics and molecular property estimation'

Mar 22, 2024

Krueger, Matteo; Berkemeier, Thomas, 2023, "Code and data for the manuscript 'A numerical compass for experiment design in chemical kinetics and molecular property estimation'", https://doi.org/10.17617/3.D5PCQK, Edmond, V3

The numerical compass (NC) method integrates kinetic models, global optimization, ensemble methods, and machine learning to identify experimental conditions with the greatest potential to constrain kinetic parameters. The approach is based on the quantification of model output variance in an ensemble of solutions that agree with experimental data....

Measurement data of ozone pollution in Beijing

Oct 13, 2023

Wang, Wenjie, 2022, "Measurement data of ozone pollution in Beijing", https://doi.org/10.17617/3.LEFS4A, Edmond, V5

Reference data for paper "Precise ozone mitigation strategy from the perspective of atmospheric oxidation capacity". When using the data, please refer to the paper mentioned above. If further data needed, please contact the corresponding authors.

Data on manuscript 'Global organic and inorganic aerosol hygroscopicity and its effect on radiative forcing'

Oct 10, 2023

Pöhlker, Christopher, 2023, "Data on manuscript 'Global organic and inorganic aerosol hygroscopicity and its effect on radiative forcing'", https://doi.org/10.17617/3.HG0GHF, Edmond, V1

This collection contains data for the paper "Global organic and inorganic aerosol hygroscopicity and its effect on radiative forcing" (Pöhlker et al., 2023, doi:10.1038/s41467-023-41695-8 ). When using the data, please refer to the paper mentioned above. If further data are needed, please contact the corresponding author. The files contain the data...

Simulated global ultrafine particle (UFP) concentrations

Sep 25, 2023

Kohl, Matthias; Pozzer, Andrea, 2023, "Simulated global ultrafine particle (UFP) concentrations", https://doi.org/10.17617/3.7945XI, Edmond, V1

Numerical simulation of global ultrafine particle (UFP; particulate matter with diameter < 0.1 um) concentrations with the ECHAM/MESSy Atmospheric Chemistry model (EMAC) for the year 2015. The simulations are available at two different horizontal resolutions: model resolution (1.875°x1.875°) and downscaled using emission databases as proxies (0.1°x...

Data-driven aeolian dust emission scheme for climate modelling - code and data

Apr 6, 2023

Klingmüller, Klaus, 2023, "Data-driven aeolian dust emission scheme for climate modelling - code and data", https://doi.org/10.17617/3.XPDIES, Edmond, V1

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