Articles | Volume 17, issue 6
https://doi.org/10.5194/gmd-17-2419-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/gmd-17-2419-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Methods for assessment of models
| 
25 Mar 2024
Methods for assessment of models |
| 25 Mar 2024
| 25 Mar 2024
MEXPLORER 1.0.0 – a mechanism explorer for analysis and visualization of chemical reaction pathways based on graph theory
Air Chemistry Department, Max Planck Institute of Chemistry, P.O. Box 3060, 55020 Mainz, Germany
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isotope tagging, improved and new photolysis modules, and the new
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CAABA/MECCA is a community model published under the GPL.
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Bettina Derstroff, Imke Hüser, Efstratios Bourtsoukidis, John N. Crowley, Horst Fischer, Sergey Gromov, Hartwig Harder, Ruud H. H. Janssen, Jürgen Kesselmeier, Jos Lelieveld, Chinmay Mallik, Monica Martinez, Anna Novelli, Uwe Parchatka, Gavin J. Phillips, Rolf Sander, Carina Sauvage, Jan Schuladen, Christof Stönner, Laura Tomsche, and Jonathan Williams
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David Cabrera-Perez, Domenico Taraborrelli, Rolf Sander, and Andrea Pozzer
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Patrick Jöckel, Holger Tost, Andrea Pozzer, Markus Kunze, Oliver Kirner, Carl A. M. Brenninkmeijer, Sabine Brinkop, Duy S. Cai, Christoph Dyroff, Johannes Eckstein, Franziska Frank, Hella Garny, Klaus-Dirk Gottschaldt, Phoebe Graf, Volker Grewe, Astrid Kerkweg, Bastian Kern, Sigrun Matthes, Mariano Mertens, Stefanie Meul, Marco Neumaier, Matthias Nützel, Sophie Oberländer-Hayn, Roland Ruhnke, Theresa Runde, Rolf Sander, Dieter Scharffe, and Andreas Zahn
Geosci. Model Dev., 9, 1153–1200, https://doi.org/10.5194/gmd-9-1153-2016, https://doi.org/10.5194/gmd-9-1153-2016, 2016
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With an advanced numerical global chemistry climate model (CCM) we performed several detailed
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past, present, and potential future dynamical and chemical state of the Earth atmosphere.
The manuscript documents the model and the various applied model set-ups and provides
a first evaluation of the simulation results from a global perspective as a quality check of the data.
A. J. G. Baumgaertner, P. Jöckel, A. Kerkweg, R. Sander, and H. Tost
Geosci. Model Dev., 9, 125–135, https://doi.org/10.5194/gmd-9-125-2016, https://doi.org/10.5194/gmd-9-125-2016, 2016
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The Community Earth System Model (CESM1) is connected to the the Modular Earth Submodel System (MESSy) as a new base model. This allows MESSy users the option to utilize either the state-of-the art spectral element atmosphere dynamical core or the finite volume core of CESM1. Additionally, this makes several other component models available to MESSy users.
R. Sander
Atmos. Chem. Phys., 15, 4399–4981, https://doi.org/10.5194/acp-15-4399-2015, https://doi.org/10.5194/acp-15-4399-2015, 2015
R. Sander, P. Jöckel, O. Kirner, A. T. Kunert, J. Landgraf, and A. Pozzer
Geosci. Model Dev., 7, 2653–2662, https://doi.org/10.5194/gmd-7-2653-2014, https://doi.org/10.5194/gmd-7-2653-2014, 2014
K. Hens, A. Novelli, M. Martinez, J. Auld, R. Axinte, B. Bohn, H. Fischer, P. Keronen, D. Kubistin, A. C. Nölscher, R. Oswald, P. Paasonen, T. Petäjä, E. Regelin, R. Sander, V. Sinha, M. Sipilä, D. Taraborrelli, C. Tatum Ernest, J. Williams, J. Lelieveld, and H. Harder
Atmos. Chem. Phys., 14, 8723–8747, https://doi.org/10.5194/acp-14-8723-2014, https://doi.org/10.5194/acp-14-8723-2014, 2014
S. Bleicher, J. C. Buxmann, R. Sander, T. P. Riedel, J. A. Thornton, U. Platt, and C. Zetzsch
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acpd-14-10135-2014, https://doi.org/10.5194/acpd-14-10135-2014, 2014
Revised manuscript has not been submitted
M. S. Long, W. C. Keene, R. C. Easter, R. Sander, X. Liu, A. Kerkweg, and D. Erickson
Atmos. Chem. Phys., 14, 3397–3425, https://doi.org/10.5194/acp-14-3397-2014, https://doi.org/10.5194/acp-14-3397-2014, 2014
J. A. Adame, M. Martínez, M. Sorribas, P. J. Hidalgo, H. Harder, J.-M. Diesch, F. Drewnick, W. Song, J. Williams, V. Sinha, M. A. Hernández-Ceballos, J. Vilà-Guerau de Arellano, R. Sander, Z. Hosaynali-Beygi, H. Fischer, J. Lelieveld, and B. De la Morena
Atmos. Chem. Phys., 14, 2325–2342, https://doi.org/10.5194/acp-14-2325-2014, https://doi.org/10.5194/acp-14-2325-2014, 2014
R. Sander, A. A. P. Pszenny, W. C. Keene, E. Crete, B. Deegan, M. S. Long, J. R. Maben, and A. H. Young
Earth Syst. Sci. Data, 5, 385–392, https://doi.org/10.5194/essd-5-385-2013, https://doi.org/10.5194/essd-5-385-2013, 2013
H. Keller-Rudek, G. K. Moortgat, R. Sander, and R. Sörensen
Earth Syst. Sci. Data, 5, 365–373, https://doi.org/10.5194/essd-5-365-2013, https://doi.org/10.5194/essd-5-365-2013, 2013
E. Regelin, H. Harder, M. Martinez, D. Kubistin, C. Tatum Ernest, H. Bozem, T. Klippel, Z. Hosaynali-Beygi, H. Fischer, R. Sander, P. Jöckel, R. Königstedt, and J. Lelieveld
Atmos. Chem. Phys., 13, 10703–10720, https://doi.org/10.5194/acp-13-10703-2013, https://doi.org/10.5194/acp-13-10703-2013, 2013
M. S. Long, W. C. Keene, R. Easter, R. Sander, A. Kerkweg, D. Erickson, X. Liu, and S. Ghan
Geosci. Model Dev., 6, 255–262, https://doi.org/10.5194/gmd-6-255-2013, https://doi.org/10.5194/gmd-6-255-2013, 2013
R. Sander and J. Bottenheim
Earth Syst. Sci. Data, 4, 215–282, https://doi.org/10.5194/essd-4-215-2012, https://doi.org/10.5194/essd-4-215-2012, 2012
Raphael Dreger, Timo Kirfel, Andrea Pozzer, Simon Rosanka, Rolf Sander, and Domenico Taraborrelli
Geosci. Model Dev., 18, 4273–4291, https://doi.org/10.5194/gmd-18-4273-2025, https://doi.org/10.5194/gmd-18-4273-2025, 2025
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Model simulations are essential for understanding the interactions between atmospheric composition and weather. However, models including chemistry are very slow. Hence, any computation speedup of such models is important for understanding the role of atmospheric chemistry within the Earth system. In this study we analyzed and optimized the time step for chemistry calculations. Our results show that atmospheric models could be run notably faster without any loss in accuracy.
Simone T. Andersen, Rolf Sander, Patrick Dewald, Laura Wüst, Tobias Seubert, Gunther N. T. E. Türk, Jan Schuladen, Max R. McGillen, Chaoyang Xue, Abdelwahid Mellouki, Alexandre Kukui, Vincent Michoud, Manuela Cirtog, Mathieu Cazaunau, Astrid Bauville, Hichem Bouzidi, Paola Formenti, Cyrielle Denjean, Jean-Claude Etienne, Olivier Garrouste, Christopher Cantrell, Jos Lelieveld, and John N. Crowley
Atmos. Chem. Phys., 25, 5893–5909, https://doi.org/10.5194/acp-25-5893-2025, https://doi.org/10.5194/acp-25-5893-2025, 2025
Short summary
Short summary
Measurements and modelling of reactive nitrogen gases observed in a suburban temperate forest in Rambouillet, France, circa 50 km southwest of Paris in 2022 indicate that the biosphere rapidly scavenges organic nitrates of mixed biogenic and anthropogenic origin, resulting in short lifetimes for, for example, alkyl nitrates and peroxy nitrates.
Felix Wieser, Rolf Sander, Changmin Cho, Hendrik Fuchs, Thorsten Hohaus, Anna Novelli, Ralf Tillmann, and Domenico Taraborrelli
Geosci. Model Dev., 17, 4311–4330, https://doi.org/10.5194/gmd-17-4311-2024, https://doi.org/10.5194/gmd-17-4311-2024, 2024
Short summary
Short summary
The chemistry scheme of the atmospheric box model CAABA/MECCA is expanded to achieve an improved aerosol formation from emitted organic compounds. In addition to newly added reactions, temperature-dependent partitioning of all new species between the gas and aqueous phases is estimated and included in the pre-existing scheme. Sensitivity runs show an overestimation of key compounds from isoprene, which can be explained by a lack of aqueous-phase degradation reactions and box model limitations.
Simon Rosanka, Holger Tost, Rolf Sander, Patrick Jöckel, Astrid Kerkweg, and Domenico Taraborrelli
Geosci. Model Dev., 17, 2597–2615, https://doi.org/10.5194/gmd-17-2597-2024, https://doi.org/10.5194/gmd-17-2597-2024, 2024
Short summary
Short summary
The capabilities of the Modular Earth Submodel System (MESSy) are extended to account for non-equilibrium aqueous-phase chemistry in the representation of deliquescent aerosols. When applying the new development in a global simulation, we find that MESSy's bias in modelling routinely observed reduced inorganic aerosol mass concentrations, especially in the United States. Furthermore, the representation of fine-aerosol pH is particularly improved in the marine boundary layer.
Meghna Soni, Rolf Sander, Lokesh K. Sahu, Domenico Taraborrelli, Pengfei Liu, Ankit Patel, Imran A. Girach, Andrea Pozzer, Sachin S. Gunthe, and Narendra Ojha
Atmos. Chem. Phys., 23, 15165–15180, https://doi.org/10.5194/acp-23-15165-2023, https://doi.org/10.5194/acp-23-15165-2023, 2023
Short summary
Short summary
The study presents the implementation of comprehensive multiphase chlorine chemistry in the box model CAABA/MECCA. Simulations for contrasting urban environments of Asia and Europe highlight the significant impacts of chlorine on atmospheric oxidation capacity and composition. Chemical processes governing the production and loss of chlorine-containing species has been discussed. The updated chemical mechanism will be useful to interpret field measurements and for future air quality studies.
Rolf Sander
Atmos. Chem. Phys., 23, 10901–12440, https://doi.org/10.5194/acp-23-10901-2023, https://doi.org/10.5194/acp-23-10901-2023, 2023
Short summary
Short summary
According to Henry's law, the equilibrium ratio between the abundances in the gas phase and in the aqueous phase is constant for a dilute solution. Henry’s law constants of trace gases of potential importance in environmental chemistry have been collected and converted into a uniform format. The compilation contains 46 434 values of Henry's law constants for 10 173 species, collected from 995 references. It is also available on the internet at https://www.henrys-law.org.
Matthias Karl, Liisa Pirjola, Tiia Grönholm, Mona Kurppa, Srinivasan Anand, Xiaole Zhang, Andreas Held, Rolf Sander, Miikka Dal Maso, David Topping, Shuai Jiang, Leena Kangas, and Jaakko Kukkonen
Geosci. Model Dev., 15, 3969–4026, https://doi.org/10.5194/gmd-15-3969-2022, https://doi.org/10.5194/gmd-15-3969-2022, 2022
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The community aerosol dynamics model MAFOR includes several advanced features: coupling with an up-to-date chemistry mechanism for volatile organic compounds, a revised Brownian coagulation kernel that takes into account the fractal geometry of soot particles, a multitude of nucleation parameterizations, size-resolved partitioning of semi-volatile inorganics, and a hybrid method for the formation of secondary organic aerosols within the framework of condensation and evaporation.
Andrea Pozzer, Simon F. Reifenberg, Vinod Kumar, Bruno Franco, Matthias Kohl, Domenico Taraborrelli, Sergey Gromov, Sebastian Ehrhart, Patrick Jöckel, Rolf Sander, Veronica Fall, Simon Rosanka, Vlassis Karydis, Dimitris Akritidis, Tamara Emmerichs, Monica Crippa, Diego Guizzardi, Johannes W. Kaiser, Lieven Clarisse, Astrid Kiendler-Scharr, Holger Tost, and Alexandra Tsimpidi
Geosci. Model Dev., 15, 2673–2710, https://doi.org/10.5194/gmd-15-2673-2022, https://doi.org/10.5194/gmd-15-2673-2022, 2022
Short summary
Short summary
A newly developed setup of the chemistry general circulation model EMAC (ECHAM5/MESSy for Atmospheric Chemistry) is evaluated here. A comprehensive organic degradation mechanism is used and coupled with a volatility base model.
The results show that the model reproduces most of the tracers and aerosols satisfactorily but shows discrepancies for oxygenated organic gases. It is also shown that this model configuration can be used for further research in atmospheric chemistry.
Philipp G. Eger, Luc Vereecken, Rolf Sander, Jan Schuladen, Nicolas Sobanski, Horst Fischer, Einar Karu, Jonathan Williams, Ville Vakkari, Tuukka Petäjä, Jos Lelieveld, Andrea Pozzer, and John N. Crowley
Atmos. Chem. Phys., 21, 14333–14349, https://doi.org/10.5194/acp-21-14333-2021, https://doi.org/10.5194/acp-21-14333-2021, 2021
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We determine the impact of pyruvic acid photolysis on the formation of acetaldehyde and peroxy radicals during summer and autumn in the Finnish boreal forest using a data-constrained box model. Our results are dependent on the chosen scenario in which the overall quantum yield and the photolysis products are varied. We highlight that pyruvic acid photolysis can be an important contributor to acetaldehyde and peroxy radical formation in remote, forested regions.
Simon Rosanka, Rolf Sander, Andreas Wahner, and Domenico Taraborrelli
Geosci. Model Dev., 14, 4103–4115, https://doi.org/10.5194/gmd-14-4103-2021, https://doi.org/10.5194/gmd-14-4103-2021, 2021
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The Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC) is developed and implemented into the Module Efficiently Calculating the Chemistry of the Atmosphere (MECCA). JAMOC is an explicit in-cloud oxidation scheme for oxygenated volatile organic compounds (OVOCs), which is suitable for global model applications. Within a box-model study, we show that JAMOC yields reduced gas-phase concentrations of most OVOCs and oxidants, except for nitrogen oxides.
Simon Rosanka, Rolf Sander, Bruno Franco, Catherine Wespes, Andreas Wahner, and Domenico Taraborrelli
Atmos. Chem. Phys., 21, 9909–9930, https://doi.org/10.5194/acp-21-9909-2021, https://doi.org/10.5194/acp-21-9909-2021, 2021
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In-cloud destruction of ozone depends on hydroperoxyl radicals in cloud droplets, where they are produced by oxygenated volatile organic compound (OVOC) oxygenation. Only rudimentary representations of these processes, if any, are currently available in global atmospheric models. By using a comprehensive atmospheric model that includes a complex in-cloud OVOC oxidation scheme, we show that atmospheric oxidants are reduced and models ignoring this process will underpredict clouds as ozone sinks.
Julian Rüdiger, Alexandra Gutmann, Nicole Bobrowski, Marcello Liotta, J. Maarten de Moor, Rolf Sander, Florian Dinger, Jan-Lukas Tirpitz, Martha Ibarra, Armando Saballos, María Martínez, Elvis Mendoza, Arnoldo Ferrufino, John Stix, Juan Valdés, Jonathan M. Castro, and Thorsten Hoffmann
Atmos. Chem. Phys., 21, 3371–3393, https://doi.org/10.5194/acp-21-3371-2021, https://doi.org/10.5194/acp-21-3371-2021, 2021
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We present an innovative approach to study halogen chemistry in the plume of Masaya volcano in Nicaragua. An unique data set was collected using multiple techniques, including drones. These data enabled us to determine the fraction of activation of the respective halogens at various plume ages, where in-mixing of ambient air causes chemical reactions. An atmospheric chemistry box model was employed to further examine the field results and help our understanding of volcanic plume chemistry.
Domenico Taraborrelli, David Cabrera-Perez, Sara Bacer, Sergey Gromov, Jos Lelieveld, Rolf Sander, and Andrea Pozzer
Atmos. Chem. Phys., 21, 2615–2636, https://doi.org/10.5194/acp-21-2615-2021, https://doi.org/10.5194/acp-21-2615-2021, 2021
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Atmospheric pollutants from anthropogenic activities and biomass burning are usually regarded as ozone precursors. Monocyclic aromatics are no exception. Calculations with a comprehensive atmospheric model are consistent with this view but only for air masses close to pollution source regions. However, the same model predicts that aromatics, when transported to remote areas, may effectively destroy ozone. This loss of tropospheric ozone rivals the one attributed to bromine.
Rolf Sander, Andreas Baumgaertner, David Cabrera-Perez, Franziska Frank, Sergey Gromov, Jens-Uwe Grooß, Hartwig Harder, Vincent Huijnen, Patrick Jöckel, Vlassis A. Karydis, Kyle E. Niemeyer, Andrea Pozzer, Hella Riede, Martin G. Schultz, Domenico Taraborrelli, and Sebastian Tauer
Geosci. Model Dev., 12, 1365–1385, https://doi.org/10.5194/gmd-12-1365-2019, https://doi.org/10.5194/gmd-12-1365-2019, 2019
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We present the atmospheric chemistry box model CAABA/MECCA which
now includes a number of new features: skeletal mechanism
reduction, the MOM chemical mechanism for volatile organic
compounds, an option to include reactions from the Master
Chemical Mechanism (MCM) and other chemical mechanisms, updated
isotope tagging, improved and new photolysis modules, and the new
feature of coexisting multiple chemistry mechanisms.
CAABA/MECCA is a community model published under the GPL.
Zacharias Marinou Nikolaou, Jyh-Yuan Chen, Yiannis Proestos, Jos Lelieveld, and Rolf Sander
Geosci. Model Dev., 11, 3391–3407, https://doi.org/10.5194/gmd-11-3391-2018, https://doi.org/10.5194/gmd-11-3391-2018, 2018
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Chemistry is an important component of the atmosphere that describes many important physical processes. However, atmospheric chemical mechanisms include hundreds of species and reactions, posing a significant computational load. In this work, we use a powerful reduction method in order to develop a computationally faster chemical mechanism from a detailed mechanism. This enables accelerated simulations, which can be used to examine a wider range of processes in increased detail.
Chinmay Mallik, Laura Tomsche, Efstratios Bourtsoukidis, John N. Crowley, Bettina Derstroff, Horst Fischer, Sascha Hafermann, Imke Hüser, Umar Javed, Stephan Keßel, Jos Lelieveld, Monica Martinez, Hannah Meusel, Anna Novelli, Gavin J. Phillips, Andrea Pozzer, Andreas Reiffs, Rolf Sander, Domenico Taraborrelli, Carina Sauvage, Jan Schuladen, Hang Su, Jonathan Williams, and Hartwig Harder
Atmos. Chem. Phys., 18, 10825–10847, https://doi.org/10.5194/acp-18-10825-2018, https://doi.org/10.5194/acp-18-10825-2018, 2018
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OH and HO2 control the transformation of air pollutants and O3 formation. Their implication for air quality over the climatically sensitive Mediterranean region was studied during a field campaign in Cyprus. Production of OH, HO2, and recycled OH was lower in aged marine air masses. Box model simulations of OH and HO2 agreed with measurements except at high terpene concentrations when model RO2 due to terpenes caused large HO2 loss. Autoxidation schemes for RO2 improved the agreement.
Bettina Derstroff, Imke Hüser, Efstratios Bourtsoukidis, John N. Crowley, Horst Fischer, Sergey Gromov, Hartwig Harder, Ruud H. H. Janssen, Jürgen Kesselmeier, Jos Lelieveld, Chinmay Mallik, Monica Martinez, Anna Novelli, Uwe Parchatka, Gavin J. Phillips, Rolf Sander, Carina Sauvage, Jan Schuladen, Christof Stönner, Laura Tomsche, and Jonathan Williams
Atmos. Chem. Phys., 17, 9547–9566, https://doi.org/10.5194/acp-17-9547-2017, https://doi.org/10.5194/acp-17-9547-2017, 2017
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The aim of the study was to examine aged air masses being transported from the European continent towards Cyprus. Longer-lived oxygenated volatile organic compounds (OVOCs) such as methanol were mainly impacted by long-distance transport and showed higher values in air masses from eastern Europe than in a flow regime from the west. The impact of the transport through the marine boundary layer as well as the influence of the residual layer/free troposphere on OVOCs were studied.
Stephan Keßel, David Cabrera-Perez, Abraham Horowitz, Patrick R. Veres, Rolf Sander, Domenico Taraborrelli, Maria Tucceri, John N. Crowley, Andrea Pozzer, Christof Stönner, Luc Vereecken, Jos Lelieveld, and Jonathan Williams
Atmos. Chem. Phys., 17, 8789–8804, https://doi.org/10.5194/acp-17-8789-2017, https://doi.org/10.5194/acp-17-8789-2017, 2017
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In this study we identify an often overlooked stable oxide of carbon, namely carbon suboxide (C3O2), in ambient air. We have made C3O2 and in the laboratory determined its absorption cross section data and the rate of reaction with two important atmospheric oxidants, OH and O3. By incorporating known sources and sinks in a global model we have generated a first global picture of the distribution of this species in the atmosphere.
David Cabrera-Perez, Domenico Taraborrelli, Rolf Sander, and Andrea Pozzer
Atmos. Chem. Phys., 16, 6931–6947, https://doi.org/10.5194/acp-16-6931-2016, https://doi.org/10.5194/acp-16-6931-2016, 2016
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The global atmospheric budget and distribution of monocyclic aromatic compounds is estimated, using an atmospheric chemistry general circulation model. Simulation results are evaluated with observations with the goal of understanding emission, production and removal of these compounds. Anthropogenic and biomass burning are the main sources of aromatic compounds to the atmosphere. The main sink is photochemical decomposition and in lesser importance dry deposition.
Patrick Jöckel, Holger Tost, Andrea Pozzer, Markus Kunze, Oliver Kirner, Carl A. M. Brenninkmeijer, Sabine Brinkop, Duy S. Cai, Christoph Dyroff, Johannes Eckstein, Franziska Frank, Hella Garny, Klaus-Dirk Gottschaldt, Phoebe Graf, Volker Grewe, Astrid Kerkweg, Bastian Kern, Sigrun Matthes, Mariano Mertens, Stefanie Meul, Marco Neumaier, Matthias Nützel, Sophie Oberländer-Hayn, Roland Ruhnke, Theresa Runde, Rolf Sander, Dieter Scharffe, and Andreas Zahn
Geosci. Model Dev., 9, 1153–1200, https://doi.org/10.5194/gmd-9-1153-2016, https://doi.org/10.5194/gmd-9-1153-2016, 2016
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With an advanced numerical global chemistry climate model (CCM) we performed several detailed
combined hind-cast and projection simulations of the period 1950 to 2100 to assess the
past, present, and potential future dynamical and chemical state of the Earth atmosphere.
The manuscript documents the model and the various applied model set-ups and provides
a first evaluation of the simulation results from a global perspective as a quality check of the data.
A. J. G. Baumgaertner, P. Jöckel, A. Kerkweg, R. Sander, and H. Tost
Geosci. Model Dev., 9, 125–135, https://doi.org/10.5194/gmd-9-125-2016, https://doi.org/10.5194/gmd-9-125-2016, 2016
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The Community Earth System Model (CESM1) is connected to the the Modular Earth Submodel System (MESSy) as a new base model. This allows MESSy users the option to utilize either the state-of-the art spectral element atmosphere dynamical core or the finite volume core of CESM1. Additionally, this makes several other component models available to MESSy users.
R. Sander
Atmos. Chem. Phys., 15, 4399–4981, https://doi.org/10.5194/acp-15-4399-2015, https://doi.org/10.5194/acp-15-4399-2015, 2015
R. Sander, P. Jöckel, O. Kirner, A. T. Kunert, J. Landgraf, and A. Pozzer
Geosci. Model Dev., 7, 2653–2662, https://doi.org/10.5194/gmd-7-2653-2014, https://doi.org/10.5194/gmd-7-2653-2014, 2014
K. Hens, A. Novelli, M. Martinez, J. Auld, R. Axinte, B. Bohn, H. Fischer, P. Keronen, D. Kubistin, A. C. Nölscher, R. Oswald, P. Paasonen, T. Petäjä, E. Regelin, R. Sander, V. Sinha, M. Sipilä, D. Taraborrelli, C. Tatum Ernest, J. Williams, J. Lelieveld, and H. Harder
Atmos. Chem. Phys., 14, 8723–8747, https://doi.org/10.5194/acp-14-8723-2014, https://doi.org/10.5194/acp-14-8723-2014, 2014
S. Bleicher, J. C. Buxmann, R. Sander, T. P. Riedel, J. A. Thornton, U. Platt, and C. Zetzsch
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acpd-14-10135-2014, https://doi.org/10.5194/acpd-14-10135-2014, 2014
Revised manuscript has not been submitted
M. S. Long, W. C. Keene, R. C. Easter, R. Sander, X. Liu, A. Kerkweg, and D. Erickson
Atmos. Chem. Phys., 14, 3397–3425, https://doi.org/10.5194/acp-14-3397-2014, https://doi.org/10.5194/acp-14-3397-2014, 2014
J. A. Adame, M. Martínez, M. Sorribas, P. J. Hidalgo, H. Harder, J.-M. Diesch, F. Drewnick, W. Song, J. Williams, V. Sinha, M. A. Hernández-Ceballos, J. Vilà-Guerau de Arellano, R. Sander, Z. Hosaynali-Beygi, H. Fischer, J. Lelieveld, and B. De la Morena
Atmos. Chem. Phys., 14, 2325–2342, https://doi.org/10.5194/acp-14-2325-2014, https://doi.org/10.5194/acp-14-2325-2014, 2014
R. Sander, A. A. P. Pszenny, W. C. Keene, E. Crete, B. Deegan, M. S. Long, J. R. Maben, and A. H. Young
Earth Syst. Sci. Data, 5, 385–392, https://doi.org/10.5194/essd-5-385-2013, https://doi.org/10.5194/essd-5-385-2013, 2013
H. Keller-Rudek, G. K. Moortgat, R. Sander, and R. Sörensen
Earth Syst. Sci. Data, 5, 365–373, https://doi.org/10.5194/essd-5-365-2013, https://doi.org/10.5194/essd-5-365-2013, 2013
E. Regelin, H. Harder, M. Martinez, D. Kubistin, C. Tatum Ernest, H. Bozem, T. Klippel, Z. Hosaynali-Beygi, H. Fischer, R. Sander, P. Jöckel, R. Königstedt, and J. Lelieveld
Atmos. Chem. Phys., 13, 10703–10720, https://doi.org/10.5194/acp-13-10703-2013, https://doi.org/10.5194/acp-13-10703-2013, 2013
M. S. Long, W. C. Keene, R. Easter, R. Sander, A. Kerkweg, D. Erickson, X. Liu, and S. Ghan
Geosci. Model Dev., 6, 255–262, https://doi.org/10.5194/gmd-6-255-2013, https://doi.org/10.5194/gmd-6-255-2013, 2013
R. Sander and J. Bottenheim
Earth Syst. Sci. Data, 4, 215–282, https://doi.org/10.5194/essd-4-215-2012, https://doi.org/10.5194/essd-4-215-2012, 2012
Related subject area
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Optimized dynamic mode decomposition for reconstruction and forecasting of atmospheric chemistry data
Interpolating turbulent heat fluxes missing from a prairie observation on the Tibetan Plateau using artificial intelligence models
Carbon dioxide plume dispersion simulated at the hectometer scale using DALES: model formulation and observational evaluation
Low-level jets in the North and Baltic seas: mesoscale model sensitivity and climatology using WRF V4.2.1
SynRad v1.0: a radar forward operator to simulate synthetic weather radar observations from volcanic ash clouds
Chempath 1.0: an open-source pathway analysis program for photochemical models
PALACE v1.0: Paranal Airglow Line And Continuum Emission model
Atmospheric moisture tracking with WAM2layers v3
A new set of indicators for model evaluation complementing FAIRMODE's modelling quality objective (MQO)
Impact of multiple radar wind profiler data assimilation on convective-scale short-term rainfall forecasts: OSSE studies over the Beijing–Tianjin–Hebei region
New submodel for emissions from Explosive Volcanic ERuptions (EVER v1.1) within the Modular Earth Submodel System (MESSy, version 2.55.1)
Quantifying the oscillatory evolution of simulated boundary-layer cloud fields using Gaussian process regression
Numerical investigations on the modelling of ultrafine particles in SSH-aerosol-v1.3a: size resolution and redistribution
The third Met Office Unified Model–JULES Regional Atmosphere and Land Configuration, RAL3
The sensitivity of aerosol data assimilation to vertical profiles: case study of dust storm assimilation with LOTOS-EUROS v2.2
Knowledge-inspired fusion strategies for the inference of PM2.5 values with a neural network
Tuning the ICON-A 2.6.4 climate model with machine-learning-based emulators and history matching
A novel method for quantifying the contribution of regional transport to PM2.5 in Beijing (2013–2020): combining machine learning with concentration-weighted trajectory analysis
Quantification of CO2 hotspot emissions from OCO-3 SAM CO2 satellite images using deep learning methods
Diagnosis of winter precipitation types using the spectral bin model (version 1DSBM-19M): comparison of five methods using ICE-POP 2018 field experiment data
Improving winter condition simulations in SURFEX-TEB v9.0 with a multi-layer snow model and ice
UA-ICON with the NWP physics package (version ua-icon-2.1): mean state and variability of the middle atmosphere
Integrated Methane Inversion (IMI) 2.0: an improved research and stakeholder tool for monitoring total methane emissions with high resolution worldwide using TROPOMI satellite observations
HTAP3 Fires: towards a multi-model, multi-pollutant study of fire impacts
Using a data-driven statistical model to better evaluate surface turbulent heat fluxes in weather and climate numerical models: a demonstration study
Pochva: a new hydro-thermal process model in soil, snow, and vegetation for application in atmosphere numerical models
ClimKern v1.2: a new Python package and kernel repository for calculating radiative feedbacks
Accounting for effects of coagulation and model uncertainties in particle number concentration estimates based on measurements from sampling lines – a Bayesian inversion approach with SLIC v1.0
Top-down CO emission estimates using TROPOMI CO data in the TM5-4DVAR (r1258) inverse modeling suit
The Multi-Compartment Hg Modeling and Analysis Project (MCHgMAP): mercury modeling to support international environmental policy
Similarity-based analysis of atmospheric organic compounds for machine learning applications
The Atmospheric Potential Oxygen forward Model Intercomparison Project (APO-MIP1): Evaluating simulated atmospheric transport of air-sea gas exchange tracers and APO flux products
Porting the Meso-NH atmospheric model on different GPU architectures for the next generation of supercomputers (version MESONH-v55-OpenACC)
Estimation of aerosol and cloud radiative heating rate in the tropical stratosphere using a radiative kernel method
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Sensitivity studies of a four-dimensional local ensemble transform Kalman filter coupled with WRF-Chem version 3.9.1 for improving particulate matter simulation accuracy
A Bayesian method for predicting background radiation at environmental monitoring stations in local-scale networks
Inclusion of the ECMWF ecRad radiation scheme (v1.5.0) in the MAR (v3.14), regional evaluation for Belgium, and assessment of surface shortwave spectral fluxes at Uccle
Development of a fast radiative transfer model for ground-based microwave radiometers (ARMS-gb v1.0): validation and comparison to RTTOV-gb
Indian Institute of Tropical Meteorology (IITM) High-Resolution Global Forecast Model version 1: an attempt to resolve monsoon prediction deadlock
Cell-tracking-based framework for assessing nowcasting model skill in reproducing growth and decay of convective rainfall
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Simulation performance of planetary boundary layer schemes in WRF v4.3.1 for near-surface wind over the western Sichuan Basin: a single-site assessment
FootNet v1.0: development of a machine learning emulator of atmospheric transport
Updates and evaluation of NOAA's online-coupled air quality model version 7 (AQMv7) within the Unified Forecast System
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Improving the ensemble square root filter (EnSRF) in the Community Inversion Framework: a case study with ICON-ART 2024.01
The MESSy DWARF (based on MESSy v2.55.2)
Meghana Velagar, Christoph Keller, and J. Nathan Kutz
Geosci. Model Dev., 18, 4667–4684, https://doi.org/10.5194/gmd-18-4667-2025, https://doi.org/10.5194/gmd-18-4667-2025, 2025
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We develop the data-driven method of dynamic mode decomposition for producing a robust and stable surrogate reduced-order model of atmospheric chemistry dynamics. The model is computationally efficient, provides interpretable patterns of activity, and produces uncertainty quantification metrics. It is ideal for the forecasting of atmospheric chemistry in a computationally tractable manner.
Quanzhe Hou, Zhiqiu Gao, Zexia Duan, and Minghui Yu
Geosci. Model Dev., 18, 4625–4641, https://doi.org/10.5194/gmd-18-4625-2025, https://doi.org/10.5194/gmd-18-4625-2025, 2025
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This study evaluates various machine learning and statistical methods for interpolating turbulent heat flux data over the Tibetan Plateau. The Transformer model showed the best performance, leading to the development of the Transformer_CNN model, which combines global and local attention mechanisms. Results show that Transformer_CNN outperforms the other models and was successfully applied to interpolate heat flux data from 2007 to 2016.
Arseniy Karagodin-Doyennel, Fredrik Jansson, Bart J. H. van Stratum, Hugo Denier van der Gon, Jordi Vilà-Guerau de Arellano, and Sander Houweling
Geosci. Model Dev., 18, 4571–4599, https://doi.org/10.5194/gmd-18-4571-2025, https://doi.org/10.5194/gmd-18-4571-2025, 2025
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We introduce a new simulation platform based on the Dutch Atmospheric Large-Eddy Simulation (DALES) to simulate carbon dioxide (CO2) emissions and their dispersion in turbulent environments at a hectometer resolution. This model incorporates both anthropogenic emission inventories and online ecosystem fluxes. Simulation results for the main urban area in the Netherlands demonstrate the strong potential of DALES to improve CO2 emission modeling and to support mitigation strategies.
Bjarke T. E. Olsen, Andrea N. Hahmann, Nicolas G. Alonso-de-Linaje, Mark Žagar, and Martin Dörenkämper
Geosci. Model Dev., 18, 4499–4533, https://doi.org/10.5194/gmd-18-4499-2025, https://doi.org/10.5194/gmd-18-4499-2025, 2025
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Low-level jets (LLJs) are strong winds in the lower atmosphere that are important for wind energy as turbines get taller. This study compares a weather model (WRF) with real data across five North and Baltic Sea sites. Adjusting the model improved accuracy over the widely used ERA5. In key offshore regions, LLJs occur 10–15 % of the time and significantly boost wind power, especially in spring and summer, contributing up to 30 % of total capacity in some areas.
Vishnu Nair, Anujah Mohanathan, Michael Herzog, David G. Macfarlane, and Duncan A. Robertson
Geosci. Model Dev., 18, 4417–4432, https://doi.org/10.5194/gmd-18-4417-2025, https://doi.org/10.5194/gmd-18-4417-2025, 2025
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A numerical model that simulates the measurement processes behind the ground-based radars used to detect volcanic ash clouds is introduced. Using weather radars to detect volcanic clouds is not ideal, as fine ash particles are smaller than raindrops and remain undetected. We evaluate the performance of weather radars to study ash clouds and to identify optimal frequencies that balance the trade-off between a higher return signal and the higher path attenuation that comes at these higher frequencies.
Daniel Garduno Ruiz, Colin Goldblatt, and Anne-Sofie Ahm
Geosci. Model Dev., 18, 4433–4454, https://doi.org/10.5194/gmd-18-4433-2025, https://doi.org/10.5194/gmd-18-4433-2025, 2025
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Photochemical models describe how the composition of the atmosphere changes due to chemical reactions, transport, and other processes. These models are useful for studying the composition of the Earth's and other planets' atmospheres. Understanding the results of these models can be difficult. Here, we build on previous work to develop open-source code that can identify the reaction chains (pathways) that produce the results of these models, facilitating the understanding of these results.
Stefan Noll, Carsten Schmidt, Patrick Hannawald, Wolfgang Kausch, and Stefan Kimeswenger
Geosci. Model Dev., 18, 4353–4398, https://doi.org/10.5194/gmd-18-4353-2025, https://doi.org/10.5194/gmd-18-4353-2025, 2025
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Non-thermal emission from chemical reactions in the Earth's middle und upper atmosphere strongly contributes to the brightness of the night sky below about 2.3 µm. The new Paranal Airglow Line And Continuum Emission model calculates the emission spectrum and its variability with an unprecedented accuracy. Relying on a large spectroscopic data set from astronomical spectrographs and theoretical molecular/atomic data, this model is valuable for airglow research and astronomical observatories.
Peter Kalverla, Imme Benedict, Chris Weijenborg, and Ruud J. van der Ent
Geosci. Model Dev., 18, 4335–4352, https://doi.org/10.5194/gmd-18-4335-2025, https://doi.org/10.5194/gmd-18-4335-2025, 2025
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We introduce a new version of WAM2layers (Water Accounting Model – 2 layers), a computer program that tracks how the weather brings water from one place to another. It uses data from weather and climate models, whose resolution is steadily increasing. Processing the latest data had become a challenge, and the updates presented here ensure that WAM2layers runs smoothly again. We also made it easier to use the program and to understand its source code. This makes it more transparent, reliable, and easier to maintain.
Alexander de Meij, Cornelis Cuvelier, Philippe Thunis, and Enrico Pisoni
Geosci. Model Dev., 18, 4231–4245, https://doi.org/10.5194/gmd-18-4231-2025, https://doi.org/10.5194/gmd-18-4231-2025, 2025
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We assess relevance and utility indicators by evaluating nine Copernicus Atmospheric Monitoring Service models in calculated air pollutant values. For NO2, the results highlight difficulties at traffic stations. For PM2.5 and PM10 the bias and winter–summer gradients reveal issues. O3 evaluation shows that seasonal gradients are useful. Overall, the indicators reveal model limitations, yet there is a need to reconsider the strictness of some indicators for certain pollutants.
Juan Zhao, Jianping Guo, and Xiaohui Zheng
Geosci. Model Dev., 18, 4075–4101, https://doi.org/10.5194/gmd-18-4075-2025, https://doi.org/10.5194/gmd-18-4075-2025, 2025
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A series of observing system simulation experiments are conducted to assess the impact of multiple radar wind profiler (RWP) networks on convective-scale numerical weather prediction. Results from three southwest-type heavy rainfall cases in the Beijing–Tianjin–Hebei region suggest the added forecast skill of ridge and foothill networks associated with the Taihang Mountains over the existing RWP network. This research provides valuable guidance for designing optimal RWP networks in the region.
Matthias Kohl, Christoph Brühl, Jennifer Schallock, Holger Tost, Patrick Jöckel, Adrian Jost, Steffen Beirle, Michael Höpfner, and Andrea Pozzer
Geosci. Model Dev., 18, 3985–4007, https://doi.org/10.5194/gmd-18-3985-2025, https://doi.org/10.5194/gmd-18-3985-2025, 2025
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SO2 from explosive volcanic eruptions reaching the stratosphere can oxidize and form sulfur aerosols, potentially persisting for several years. We developed a new submodel, Explosive Volcanic ERuptions (EVER), that seamlessly includes stratospheric volcanic SO2 emissions in global numerical simulations based on a novel standard historical model setup, successfully evaluated with satellite observations. Sensitivity studies on the Nabro eruption in 2011 evaluate different emission methods.
Gunho Loren Oh and Philip H. Austin
Geosci. Model Dev., 18, 3921–3940, https://doi.org/10.5194/gmd-18-3921-2025, https://doi.org/10.5194/gmd-18-3921-2025, 2025
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It is difficult to study the behaviour of a cloud field due to internal fluctuations and observational noise. We perform a high-resolution simulation of the boundary-layer cloud field and introduce statistical and numerical techniques, including machine-learning models, to study the evolution of the cloud field, which shows a periodic behaviour. We aim to use the numerical techniques to identify the underlying behaviour within noisy observations.
Oscar Jacquot and Karine Sartelet
Geosci. Model Dev., 18, 3965–3984, https://doi.org/10.5194/gmd-18-3965-2025, https://doi.org/10.5194/gmd-18-3965-2025, 2025
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Modelling the size distribution and the number concentration is important to represent ultrafine particles. A new analytic formulation is presented to compute coagulation partition coefficients, allowing us to lower the numerical diffusion associated with the resolution of aerosol dynamics. The significance of this effect is assessed in a 0D box model and over greater Paris with a chemistry transport model, using different size resolutions of the particle distribution.
Mike Bush, David L. A. Flack, Huw W. Lewis, Sylvia I. Bohnenstengel, Chris J. Short, Charmaine Franklin, Adrian P. Lock, Martin Best, Paul Field, Anne McCabe, Kwinten Van Weverberg, Segolene Berthou, Ian Boutle, Jennifer K. Brooke, Seb Cole, Shaun Cooper, Gareth Dow, John Edwards, Anke Finnenkoetter, Kalli Furtado, Kate Halladay, Kirsty Hanley, Margaret A. Hendry, Adrian Hill, Aravindakshan Jayakumar, Richard W. Jones, Humphrey Lean, Joshua C. K. Lee, Andy Malcolm, Marion Mittermaier, Saji Mohandas, Stuart Moore, Cyril Morcrette, Rachel North, Aurore Porson, Susan Rennie, Nigel Roberts, Belinda Roux, Claudio Sanchez, Chun-Hsu Su, Simon Tucker, Simon Vosper, David Walters, James Warner, Stuart Webster, Mark Weeks, Jonathan Wilkinson, Michael Whitall, Keith D. Williams, and Hugh Zhang
Geosci. Model Dev., 18, 3819–3855, https://doi.org/10.5194/gmd-18-3819-2025, https://doi.org/10.5194/gmd-18-3819-2025, 2025
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RAL configurations define settings for the Unified Model atmosphere and Joint UK Land Environment Simulator. The third version of the Regional Atmosphere and Land (RAL3) science configuration for kilometre- and sub-kilometre-scale modelling represents a major advance compared to previous versions (RAL2) by delivering a common science definition for applications in tropical and mid-latitude regions. RAL3 has more realistic precipitation distributions and an improved representation of clouds and visibility.
Mijie Pang, Jianbing Jin, Ting Yang, Xi Chen, Arjo Segers, Batjargal Buyantogtokh, Yixuan Gu, Jiandong Li, Hai Xiang Lin, Hong Liao, and Wei Han
Geosci. Model Dev., 18, 3781–3798, https://doi.org/10.5194/gmd-18-3781-2025, https://doi.org/10.5194/gmd-18-3781-2025, 2025
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Aerosol data assimilation has gained popularity as it combines the advantages of modelling and observation. However, few studies have addressed the challenges in the prior vertical structure. Different observations are assimilated to examine the sensitivity of assimilation to vertical structure. Results show that assimilation can optimize the dust field in general. However, if the prior introduces an incorrect structure, the assimilation can significantly deteriorate the integrity of the aerosol profile.
Matthieu Dabrowski, José Mennesson, Jérôme Riedi, Chaabane Djeraba, and Pierre Nabat
Geosci. Model Dev., 18, 3707–3733, https://doi.org/10.5194/gmd-18-3707-2025, https://doi.org/10.5194/gmd-18-3707-2025, 2025
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This work focuses on the prediction of aerosol concentration values at the ground level, which are a strong indicator of air quality, using artificial neural networks. A study of different variables and their efficiency as inputs for these models is also proposed and reveals that the best results are obtained when using all of them. Comparison between network architectures and information fusion methods allows for the extraction of knowledge on the most efficient methods in the context of this study.
Pauline Bonnet, Lorenzo Pastori, Mierk Schwabe, Marco Giorgetta, Fernando Iglesias-Suarez, and Veronika Eyring
Geosci. Model Dev., 18, 3681–3706, https://doi.org/10.5194/gmd-18-3681-2025, https://doi.org/10.5194/gmd-18-3681-2025, 2025
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Tuning a climate model means adjusting uncertain parameters in the model to best match observations like the global radiation balance and cloud cover. This is usually done by running many simulations of the model with different settings, which can be time-consuming and relies heavily on expert knowledge. To make this process faster and more objective, we developed a machine learning emulator to create a large ensemble and apply a method called history matching to find the best settings.
Kang Hu, Hong Liao, Dantong Liu, Jianbing Jin, Lei Chen, Siyuan Li, Yangzhou Wu, Changhao Wu, Shitong Zhao, Xiaotong Jiang, Ping Tian, Kai Bi, Ye Wang, and Delong Zhao
Geosci. Model Dev., 18, 3623–3634, https://doi.org/10.5194/gmd-18-3623-2025, https://doi.org/10.5194/gmd-18-3623-2025, 2025
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This study combines machine learning with concentration-weighted trajectory analysis to quantify regional transport PM2.5. From 2013–2020, local emissions dominated Beijing's pollution events. The Air Pollution Prevention and Control Action Plan reduced regional transport pollution, but the eastern region showed the smallest decrease. Beijing should prioritize local emission reduction while considering the east region's contributions in future strategies.
Joffrey Dumont Le Brazidec, Pierre Vanderbecken, Alban Farchi, Grégoire Broquet, Gerrit Kuhlmann, and Marc Bocquet
Geosci. Model Dev., 18, 3607–3622, https://doi.org/10.5194/gmd-18-3607-2025, https://doi.org/10.5194/gmd-18-3607-2025, 2025
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We developed a deep learning method to estimate CO2 emissions from power plants using satellite images. Trained and validated on simulated data, our model accurately predicts emissions despite challenges like cloud cover. When applied to real OCO3 satellite images, the results closely match reported emissions. This study shows that neural networks trained on simulations can effectively analyse real satellite data, offering a new way to monitor CO2 emissions from space.
Wonbae Bang, Jacob T. Carlin, Kwonil Kim, Alexander V. Ryzhkov, Guosheng Liu, and GyuWon Lee
Geosci. Model Dev., 18, 3559–3581, https://doi.org/10.5194/gmd-18-3559-2025, https://doi.org/10.5194/gmd-18-3559-2025, 2025
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Microphysics model-based diagnosis, such as the spectral bin model (SBM), has recently been attempted to diagnose winter precipitation types. In this study, the accuracy of SBM-based precipitation type diagnosis is compared with other traditional methods. SBM has a relatively higher accuracy for dry-snow and wet-snow events, whereas it has lower accuracy for rain events. When the microphysics scheme in the SBM was optimized for the corresponding region, the accuracy for rain events improved.
Gabriel Colas, Valéry Masson, François Bouttier, Ludovic Bouilloud, Laura Pavan, and Virve Karsisto
Geosci. Model Dev., 18, 3453–3472, https://doi.org/10.5194/gmd-18-3453-2025, https://doi.org/10.5194/gmd-18-3453-2025, 2025
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In winter, snow- and ice-covered artificial surfaces are important aspects of the urban climate. They may influence the magnitude of the urban heat island effect, but this is still unclear. In this study, we improved the representation of the snow and ice cover in the Town Energy Balance (TEB) urban climate model. Evaluations have shown that the results are promising for using TEB to study the climate of cold cities.
Markus Kunze, Christoph Zülicke, Tarique A. Siddiqui, Claudia C. Stephan, Yosuke Yamazaki, Claudia Stolle, Sebastian Borchert, and Hauke Schmidt
Geosci. Model Dev., 18, 3359–3385, https://doi.org/10.5194/gmd-18-3359-2025, https://doi.org/10.5194/gmd-18-3359-2025, 2025
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We present the Icosahedral Nonhydrostatic (ICON) general circulation model with an upper-atmospheric extension with the physics package for numerical weather prediction (UA-ICON(NWP)). We optimized the parameters for the gravity wave parameterizations and achieved realistic modeling of the thermal and dynamic states of the mesopause regions. UA-ICON(NWP) now shows a realistic frequency of major sudden stratospheric warmings and well-represented solar tides in temperature.
Lucas A. Estrada, Daniel J. Varon, Melissa Sulprizio, Hannah Nesser, Zichong Chen, Nicholas Balasus, Sarah E. Hancock, Megan He, James D. East, Todd A. Mooring, Alexander Oort Alonso, Joannes D. Maasakkers, Ilse Aben, Sabour Baray, Kevin W. Bowman, John R. Worden, Felipe J. Cardoso-Saldaña, Emily Reidy, and Daniel J. Jacob
Geosci. Model Dev., 18, 3311–3330, https://doi.org/10.5194/gmd-18-3311-2025, https://doi.org/10.5194/gmd-18-3311-2025, 2025
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Reducing emissions of methane, a powerful greenhouse gas, is a top policy concern for mitigating anthropogenic climate change. The Integrated Methane Inversion (IMI) is an advanced, cloud-based software that translates satellite observations into actionable emissions data. Here we present IMI version 2.0 with vastly expanded capabilities. These updates enable a wider range of scientific and stakeholder applications from individual basin to global scales with continuous emissions monitoring.
Cynthia H. Whaley, Tim Butler, Jose A. Adame, Rupal Ambulkar, Steve R. Arnold, Rebecca R. Buchholz, Benjamin Gaubert, Douglas S. Hamilton, Min Huang, Hayley Hung, Johannes W. Kaiser, Jacek W. Kaminski, Christoph Knote, Gerbrand Koren, Jean-Luc Kouassi, Meiyun Lin, Tianjia Liu, Jianmin Ma, Kasemsan Manomaiphiboon, Elisa Bergas Masso, Jessica L. McCarty, Mariano Mertens, Mark Parrington, Helene Peiro, Pallavi Saxena, Saurabh Sonwani, Vanisa Surapipith, Damaris Y. T. Tan, Wenfu Tang, Veerachai Tanpipat, Kostas Tsigaridis, Christine Wiedinmyer, Oliver Wild, Yuanyu Xie, and Paquita Zuidema
Geosci. Model Dev., 18, 3265–3309, https://doi.org/10.5194/gmd-18-3265-2025, https://doi.org/10.5194/gmd-18-3265-2025, 2025
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The multi-model experiment design of the HTAP3 Fires project takes a multi-pollutant approach to improving our understanding of transboundary transport of wildland fire and agricultural burning emissions and their impacts. The experiments are designed with the goal of answering science policy questions related to fires. The options for the multi-model approach, including inputs, outputs, and model setup, are discussed, and the official recommendations for the project are presented.
Maurin Zouzoua, Sophie Bastin, Fabienne Lohou, Marie Lothon, Marjolaine Chiriaco, Mathilde Jome, Cécile Mallet, Laurent Barthes, and Guylaine Canut
Geosci. Model Dev., 18, 3211–3239, https://doi.org/10.5194/gmd-18-3211-2025, https://doi.org/10.5194/gmd-18-3211-2025, 2025
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This study proposes using a statistical model to freeze errors due to differences in environmental forcing when evaluating the surface turbulent heat fluxes from numerical simulations with observations. The statistical model is first built with observations and then applied to the simulated environment to generate possibly observed fluxes. This novel method provides insight into differently evaluating the numerical formulation of turbulent heat fluxes with a long period of observational data.
Oxana Drofa
Geosci. Model Dev., 18, 3175–3209, https://doi.org/10.5194/gmd-18-3175-2025, https://doi.org/10.5194/gmd-18-3175-2025, 2025
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This paper presents the result of many years of effort of the author, who developed an original mathematical numerical model of heat and moisture exchange processes in soil, vegetation, and snow. The author relied on her 30 years of research experience in atmospheric numerical modelling. The presented model is the fruit of the author's research on physical processes at the surface–atmosphere interface and their numerical approximation and aims at improving numerical weather forecasting and climate simulations.
Tyler P. Janoski, Ivan Mitevski, Ryan J. Kramer, Michael Previdi, and Lorenzo M. Polvani
Geosci. Model Dev., 18, 3065–3079, https://doi.org/10.5194/gmd-18-3065-2025, https://doi.org/10.5194/gmd-18-3065-2025, 2025
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We developed ClimKern, a Python package and radiative kernel repository, to simplify calculating radiative feedbacks and make climate sensitivity studies more reproducible. Testing of ClimKern with sample climate model data reveals that radiative kernel choice may be more important than previously thought, especially in polar regions. Our work highlights the need for kernel sensitivity analyses to be included in future studies.
Matti Niskanen, Aku Seppänen, Henri Oikarinen, Miska Olin, Panu Karjalainen, Santtu Mikkonen, and Kari Lehtinen
Geosci. Model Dev., 18, 2983–3001, https://doi.org/10.5194/gmd-18-2983-2025, https://doi.org/10.5194/gmd-18-2983-2025, 2025
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Particle size is a key factor determining the properties of aerosol particles which have a major influence on the climate and on human health. When measuring the particle sizes, however, sometimes the sampling lines that transfer the aerosol to the measurement device distort the size distribution, making the measurement unreliable. We propose a method to correct for the distortions and estimate the true particle sizes, improving measurement accuracy.
Johann Rasmus Nüß, Nikos Daskalakis, Fabian Günther Piwowarczyk, Angelos Gkouvousis, Oliver Schneising, Michael Buchwitz, Maria Kanakidou, Maarten C. Krol, and Mihalis Vrekoussis
Geosci. Model Dev., 18, 2861–2890, https://doi.org/10.5194/gmd-18-2861-2025, https://doi.org/10.5194/gmd-18-2861-2025, 2025
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We estimate carbon monoxide emissions through inverse modeling, an approach where measurements of tracers in the atmosphere are fed to a model to calculate backwards in time (inverse) where the tracers came from. We introduce measurements from a new satellite instrument and show that, in most places globally, these on their own sufficiently constrain the emissions. This alleviates the need for additional datasets, which could shorten the delay for future carbon monoxide source estimates.
Ashu Dastoor, Hélène Angot, Johannes Bieser, Flora Brocza, Brock Edwards, Aryeh Feinberg, Xinbin Feng, Benjamin Geyman, Charikleia Gournia, Yipeng He, Ian M. Hedgecock, Ilia Ilyin, Jane Kirk, Che-Jen Lin, Igor Lehnherr, Robert Mason, David McLagan, Marilena Muntean, Peter Rafaj, Eric M. Roy, Andrei Ryjkov, Noelle E. Selin, Francesco De Simone, Anne L. Soerensen, Frits Steenhuisen, Oleg Travnikov, Shuxiao Wang, Xun Wang, Simon Wilson, Rosa Wu, Qingru Wu, Yanxu Zhang, Jun Zhou, Wei Zhu, and Scott Zolkos
Geosci. Model Dev., 18, 2747–2860, https://doi.org/10.5194/gmd-18-2747-2025, https://doi.org/10.5194/gmd-18-2747-2025, 2025
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This paper introduces the Multi-Compartment Mercury (Hg) Modeling and Analysis Project (MCHgMAP) aimed at informing the effectiveness evaluations of two multilateral environmental agreements: the Minamata Convention on Mercury and the Convention on Long-Range Transboundary Air Pollution. The experimental design exploits a variety of models (atmospheric, land, oceanic ,and multimedia mass balance models) to assess the short- and long-term influences of anthropogenic Hg releases into the environment.
Hilda Sandström and Patrick Rinke
Geosci. Model Dev., 18, 2701–2724, https://doi.org/10.5194/gmd-18-2701-2025, https://doi.org/10.5194/gmd-18-2701-2025, 2025
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Machine learning has the potential to aid the identification of organic molecules involved in aerosol formation. Yet, progress is stalled by a lack of curated atmospheric molecular datasets. Here, we compared atmospheric compounds with large molecular datasets used in machine learning and found minimal overlap with similarity algorithms. Our result underlines the need for collaborative efforts to curate atmospheric molecular data to facilitate machine learning models in atmospheric sciences.
Yuming Jin, Britton B. Stephens, Matthew C. Long, Naveen Chandra, Frédéric Chevallier, Joram J. D. Hooghiem, Ingrid T. Luijkx, Shamil Maksyutov, Eric J. Morgan, Yosuke Niwa, Prabir K. Patra, Christian Rödenbeck, and Jesse Vance
EGUsphere, https://doi.org/10.5194/egusphere-2025-1736, https://doi.org/10.5194/egusphere-2025-1736, 2025
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We carry out a comprehensive atmospheric transport model (ATM) intercomparison project. This project aims to evaluate errors in ATMs and three air-sea O2 exchange products by comparing model simulations with observations collected from surface stations, ships, and aircraft. We also present a model evaluation framework to independently quantify transport-related and flux-related biases that contribute to model-observation discrepancies in atmospheric tracer distributions.
Juan Escobar, Philippe Wautelet, Joris Pianezze, Florian Pantillon, Thibaut Dauhut, Christelle Barthe, and Jean-Pierre Chaboureau
Geosci. Model Dev., 18, 2679–2700, https://doi.org/10.5194/gmd-18-2679-2025, https://doi.org/10.5194/gmd-18-2679-2025, 2025
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The Meso-NH weather research code is adapted for GPUs using OpenACC, leading to significant performance and energy efficiency improvements. Called MESONH-v55-OpenACC, it includes enhanced memory management, communication optimizations and a new solver. On the AMD MI250X Adastra platform, it achieved up to 6× speedup and 2.3× energy efficiency gain compared to CPUs. Storm simulations at 100 m resolution show positive results, positioning the code for future use on exascale supercomputers.
Jie Gao, Yi Huang, Jonathon S. Wright, Ke Li, Tao Geng, and Qiurun Yu
Geosci. Model Dev., 18, 2569–2586, https://doi.org/10.5194/gmd-18-2569-2025, https://doi.org/10.5194/gmd-18-2569-2025, 2025
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The aerosol in the upper troposphere and stratosphere is highly variable, and its radiative effect is poorly understood. To estimate this effect, the radiative kernel is constructed and applied. The results show that the kernels can reproduce aerosol radiative effects and are expected to simulate stratospheric aerosol radiative effects. This approach reduces computational expense, is consistent with radiative model calculations, and can be applied to atmospheric models with speed requirements.
Joseph Mouallem, Kun Gao, Brandon G. Reichl, Lauren Chilutti, Lucas Harris, Rusty Benson, Niki Zadeh, Jing Chen, Jan-Huey Chen, and Cheng Zhang
EGUsphere, https://doi.org/10.5194/egusphere-2025-1690, https://doi.org/10.5194/egusphere-2025-1690, 2025
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We introduce a new high-resolution model that couple the atmosphere and ocean to better simulate extreme weather events. It combines GFDL’s advanced atmospheric and ocean models with a powerful coupling system that allows robust and efficient two-way interactions. Simulations show the model accurately captures hurricane behavior and its impact on the ocean. It also runs efficiently on supercomputers. This model is a key step toward improving extreme weather forecast.
Ji Won Yoon, Seungyeon Lee, Ebony Lee, and Seon Ki Park
Geosci. Model Dev., 18, 2303–2328, https://doi.org/10.5194/gmd-18-2303-2025, https://doi.org/10.5194/gmd-18-2303-2025, 2025
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This study evaluates the Weather Research and Forecasting Model (WRF) coupled with Chemistry (WRF-Chem) to predict a mega Asian dust storm (ADS) over South Korea on 28–29 March 2021. We assessed combinations of five dust emission and four land surface schemes by analyzing meteorological and air quality variables. The best scheme combination reduced the root mean square error (RMSE) for particulate matter 10 (PM10) by up to 29.6 %, demonstrating the highest performance.
Jianyu Lin, Tie Dai, Lifang Sheng, Weihang Zhang, Shangfei Hai, and Yawen Kong
Geosci. Model Dev., 18, 2231–2248, https://doi.org/10.5194/gmd-18-2231-2025, https://doi.org/10.5194/gmd-18-2231-2025, 2025
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The effectiveness of this assimilation system and its sensitivity to the ensemble member size and length of the assimilation window are investigated. This study advances our understanding of the selection of basic parameters in the four-dimensional local ensemble transform Kalman filter assimilation system and the performance of ensemble simulation in a particulate-matter-polluted environment.
Jens Peter Karolus Wenceslaus Frankemölle, Johan Camps, Pieter De Meutter, and Johan Meyers
Geosci. Model Dev., 18, 1989–2003, https://doi.org/10.5194/gmd-18-1989-2025, https://doi.org/10.5194/gmd-18-1989-2025, 2025
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To detect anomalous radioactivity in the environment, it is paramount that we understand the natural background level. In this work, we propose a statistical model to describe the most likely background level and the associated uncertainty in a network of dose rate detectors. We train, verify, and validate the model using real environmental data. Using the model, we show that we can correctly predict the background level in a subset of the detector network during a known
anomalous event.
Jean-François Grailet, Robin J. Hogan, Nicolas Ghilain, David Bolsée, Xavier Fettweis, and Marilaure Grégoire
Geosci. Model Dev., 18, 1965–1988, https://doi.org/10.5194/gmd-18-1965-2025, https://doi.org/10.5194/gmd-18-1965-2025, 2025
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The MAR (Modèle Régional Atmosphérique) is a regional climate model used for weather forecasting and studying the climate over various regions. This paper presents an update of MAR thanks to which it can precisely decompose solar radiation, in particular in the UV (ultraviolet) and photosynthesis ranges, both being critical to human health and ecosystems. As a first application of this new capability, this paper presents a method for predicting UV indices with MAR.
Yi-Ning Shi, Jun Yang, Wei Han, Lujie Han, Jiajia Mao, Wanlin Kan, and Fuzhong Weng
Geosci. Model Dev., 18, 1947–1964, https://doi.org/10.5194/gmd-18-1947-2025, https://doi.org/10.5194/gmd-18-1947-2025, 2025
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Direct assimilation of observations from ground-based microwave radiometers (GMRs) holds significant potential for improving forecast accuracy. Radiative transfer models (RTMs) play a crucial role in direct data assimilation. In this study, we introduce a new RTM, the Advanced Radiative Transfer Modeling System – Ground-Based (ARMS-gb), designed to simulate brightness temperatures observed by GMRs along with their Jacobians. Several enhancements have been incorporated to achieve higher accuracy.
R. Phani Murali Krishna, Siddharth Kumar, A. Gopinathan Prajeesh, Peter Bechtold, Nils Wedi, Kumar Roy, Malay Ganai, B. Revanth Reddy, Snehlata Tirkey, Tanmoy Goswami, Radhika Kanase, Sahadat Sarkar, Medha Deshpande, and Parthasarathi Mukhopadhyay
Geosci. Model Dev., 18, 1879–1894, https://doi.org/10.5194/gmd-18-1879-2025, https://doi.org/10.5194/gmd-18-1879-2025, 2025
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The High-Resolution Global Forecast Model (HGFM) is an advanced iteration of the operational Global Forecast System (GFS) model. HGFM can produce forecasts at a spatial scale of ~6 km in tropics. It demonstrates improved accuracy in short- to medium-range weather prediction over the Indian region, with notable success in predicting extreme events. Further, the model will be entrusted to operational forecasting agencies after validation and testing.
Jenna Ritvanen, Seppo Pulkkinen, Dmitri Moisseev, and Daniele Nerini
Geosci. Model Dev., 18, 1851–1878, https://doi.org/10.5194/gmd-18-1851-2025, https://doi.org/10.5194/gmd-18-1851-2025, 2025
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Nowcasting models struggle with the rapid evolution of heavy rain, and common verification methods are unable to describe how accurately the models predict the growth and decay of heavy rain. We propose a framework to assess model performance. In the framework, convective cells are identified and tracked in the forecasts and observations, and the model skill is then evaluated by comparing differences between forecast and observed cells. We demonstrate the framework with four open-source models.
Andrew Geiss and Po-Lun Ma
Geosci. Model Dev., 18, 1809–1827, https://doi.org/10.5194/gmd-18-1809-2025, https://doi.org/10.5194/gmd-18-1809-2025, 2025
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Particles in the Earth's atmosphere strongly impact the planet's energy budget, and atmosphere simulations require accurate representation of their interaction with light. This work introduces two approaches to represent light scattering by small particles. The first is a scattering simulator based on Mie theory implemented in Python. The second is a neural network emulator that is more accurate than existing methods and is fast enough to be used in climate and weather simulations.
Andrin Jörimann, Timofei Sukhodolov, Beiping Luo, Gabriel Chiodo, Graham Mann, and Thomas Peter
EGUsphere, https://doi.org/10.5194/egusphere-2025-145, https://doi.org/10.5194/egusphere-2025-145, 2025
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Aerosol particles in the stratosphere affect our climate. Climate models therefore need an accurate description of their properties and evolution. Satellites measure how strongly aerosol particles extinguish light passing through the stratosphere. We describe a method to use such aerosol extinction data to retrieve the number and sizes of the aerosol particles and calculate their optical effects. The resulting data sets for models are validated against ground-based and balloon observations.
Qin Wang, Bo Zeng, Gong Chen, and Yaoting Li
Geosci. Model Dev., 18, 1769–1784, https://doi.org/10.5194/gmd-18-1769-2025, https://doi.org/10.5194/gmd-18-1769-2025, 2025
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This study evaluates the performance of four planetary boundary layer (PBL) schemes in near-surface wind fields over the Sichuan Basin, China. Using 112 sensitivity experiments with the Weather Research and Forecasting (WRF) model and focusing on 28 wind events, it is found that wind direction was less sensitive to the PBL schemes. The quasi-normal scale elimination (QNSE) scheme captured temporal variations best, while the Mellor–Yamada–Janjić (MYJ) scheme had the least error in wind speed.
Tai-Long He, Nikhil Dadheech, Tammy M. Thompson, and Alexander J. Turner
Geosci. Model Dev., 18, 1661–1671, https://doi.org/10.5194/gmd-18-1661-2025, https://doi.org/10.5194/gmd-18-1661-2025, 2025
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It is computationally expensive to infer greenhouse gas (GHG) emissions using atmospheric observations. This is partly due to the detailed model used to represent atmospheric transport. We demonstrate how a machine learning (ML) model can be used to simulate high-resolution atmospheric transport. This type of ML model will help estimate GHG emissions using dense observations, which are becoming increasingly common with the proliferation of urban monitoring networks and geostationary satellites.
Wei Li, Beiming Tang, Patrick C. Campbell, Youhua Tang, Barry Baker, Zachary Moon, Daniel Tong, Jianping Huang, Kai Wang, Ivanka Stajner, and Raffaele Montuoro
Geosci. Model Dev., 18, 1635–1660, https://doi.org/10.5194/gmd-18-1635-2025, https://doi.org/10.5194/gmd-18-1635-2025, 2025
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The study describes the updates of NOAA's current UFS-AQMv7 air quality forecast model by incorporating the latest scientific and structural changes in CMAQv5.4. An evaluation during the summer of 2023 shows that the updated model overall improves the simulation of MDA8 O3 by reducing the bias by 8%–12% in the contiguous US. PM2.5 predictions have mixed results due to wildfire, highlighting the need for future refinements.
Yanwei Zhu, Aitor Atencia, Markus Dabernig, and Yong Wang
Geosci. Model Dev., 18, 1545–1559, https://doi.org/10.5194/gmd-18-1545-2025, https://doi.org/10.5194/gmd-18-1545-2025, 2025
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Most works have delved into convective weather nowcasting, and only a few works have discussed the nowcasting uncertainty for variables at the surface level. Hence, we proposed a method to estimate uncertainty. Generating appropriate noises associated with the characteristic of the error in analysis can simulate the uncertainty of nowcasting. This method can contribute to the estimation of near–surface analysis uncertainty in both nowcasting applications and ensemble nowcasting development.
Joël Thanwerdas, Antoine Berchet, Lionel Constantin, Aki Tsuruta, Michael Steiner, Friedemann Reum, Stephan Henne, and Dominik Brunner
Geosci. Model Dev., 18, 1505–1544, https://doi.org/10.5194/gmd-18-1505-2025, https://doi.org/10.5194/gmd-18-1505-2025, 2025
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The Community Inversion Framework (CIF) brings together methods for estimating greenhouse gas fluxes from atmospheric observations. The initial ensemble method implemented in CIF was found to be incomplete and could hardly be compared to other ensemble methods employed in the inversion community. In this paper, we present and evaluate a new implementation of the ensemble mode, building upon the initial developments.
Astrid Kerkweg, Timo Kirfel, Duong H. Do, Sabine Griessbach, Patrick Jöckel, and Domenico Taraborrelli
Geosci. Model Dev., 18, 1265–1286, https://doi.org/10.5194/gmd-18-1265-2025, https://doi.org/10.5194/gmd-18-1265-2025, 2025
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Normally, the Modular Earth Submodel System (MESSy) is linked to complete dynamic models to create chemical climate models. However, the modular concept of MESSy and the newly developed DWARF component presented here make it possible to create simplified models that contain only one or a few process descriptions. This is very useful for technical optimisation, such as porting to GPUs, and can be used to create less complex models, such as a chemical box model.
Cited articles
Boykov, Y. and Kolmogorov, V.: An experimental comparison of min-cut/max-flow algorithms for energy minimization in vision, IEEE T. Pattern Anal., 26, 1124–1137, https://doi.org/10.1109/tpami.2004.60, 2004. a
Chapman, S.: A theory of upper-atmospheric ozone, Mem. R. Meteorol. Soc., 3, 103–125, 1930. a
Crutzen, P. J. and Schmailzl, U.: Chemical budgets of the stratosphere, Planet. Space Sci., 31, 1009–1032, https://doi.org/10.1016/0032-0633(83)90092-2, 1983. a, b
Edmonds, J. and Karp, R. M.: Theoretical improvements in algorithmic efficiency for network flow problems, J. Assoc. Comput. Mach., 19, 248–264, https://doi.org/10.1145/321694.321699, 1972. a
Garay-Ruiz, D., Álvarez-Moreno, M., Bo, C., and Martínez-Núñez, E.: New tools for taming complex reaction networks: The unimolecular decomposition of indole revisited, ACS Phys. Chem. Au, 2, 225–236, https://doi.org/10.1021/acsphyschemau.1C00051, 2022. a
Goldberg, A. V. and Tarjan, R. E.: A new approach to the maximum flow problem, in: STOC '86: Proceedings of the Eighteenth Annual ACM Symposium on Theory of Computing, Association for Computing Machinery, 136–146, https://doi.org/10.1145/12130.12144, 1986. a
Goldberg, A. V. and Tarjan, R. E.: Efficient maximum flow algorithms, Commun. ACM, 57, 82–89, https://doi.org/10.1145/2628036, 2014. a
Maeda, S., Harabuchi, Y., Hayashi, H., and Mita, T.: Toward ab initio reaction discovery using the artificial force induced reaction method, Annu. Rev. Phys. Chem., 74, 287–311, https://doi.org/10.1146/annurev-physchem-102822-101025, 2023. a
Martínez-Núñez, E., Barnes, G. L., Glowacki, D. R., Kopec, S., Peláez, D., Rodríguez, A., Rodríguez-Fernández, R., Shannon, R. J., Stewart, J. J. P., Tahoces, P. G., and Vazquez, S. A.: AutoMeKin2021: An open-source program for automated reaction discovery, J. Comput. Chem., 42, 2036–2048, https://doi.org/10.1002/JCC.26734, 2021. a
Niemeyer, K. E. and Sung, C.-J.: On the importance of graph search algorithms for DRGEP-based mechanism reduction methods, Combust. Flame, 158, 1439–1443, https://doi.org/10.1016/J.combustflame.2010.12.010, 2011. a
Peixoto, T. P.: The graph-tool python library, Figshare, https://doi.org/10.6084/M9.figshare.1164194 [code], 2014. a
Rosanka, S., Sander, R., Wahner, A., and Taraborrelli, D.: Oxidation of low-molecular-weight organic compounds in cloud droplets: development of the Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC) in CAABA/MECCA (version 4.5.0), Geosci. Model Dev., 14, 4103–4115, https://doi.org/10.5194/gmd-14-4103-2021, 2021. a, b
Sander, R.: MEXPLORER – a mechanism explorer, Zenodo [code], https://doi.org/10.5281/zenodo.10618328, 2024a. a
Sander, R.: The community atmospheric chemistry box model CAABA/MECCA, Zenodo [code], https://doi.org/10.5281/zenodo.4707937, 2024b. a
Sander, R.: The community atmospheric chemistry box model CAABA/MECCA, gitlab [code], https://gitlab.com/RolfSander/caaba-mecca/-/tree/develop (last access: 11 March 2024), 2024c. a
Sander, R., Baumgaertner, A., Cabrera-Perez, D., Frank, F., Gromov, S., Grooß, J.-U., Harder, H., Huijnen, V., Jöckel, P., Karydis, V. A., Niemeyer, K. E., Pozzer, A., Riede, H., Schultz, M. G., Taraborrelli, D., and Tauer, S.: The community atmospheric chemistry box model CAABA/MECCA-4.0, Geosci. Model Dev., 12, 1365–1385, https://doi.org/10.5194/gmd-12-1365-2019, 2019. a, b
Sandu, A. and Sander, R.: Technical note: Simulating chemical systems in Fortran90 and Matlab with the Kinetic PreProcessor KPP-2.1, Atmos. Chem. Phys., 6, 187–195, https://doi.org/10.5194/acp-6-187-2006, 2006. a
Silva, S. J., Burrows, S. M., Evans, M. J., and Halappanavar, M.: A graph theoretical intercomparison of atmospheric chemical mechanisms, Geophys. Res. Lett., 48, e2020GL090481, https://doi.org/10.1029/2020GL090481, 2020. a, b
Sumiya, Y., Harabuchi, Y., Nagata, Y., and Maeda, S.: Quantum chemical calculations to trace back reaction paths for the prediction of reactants, J. Am. Chem. Soc. Au, 2, 1181–1188, https://doi.org/10.1021/jacsau.2C00157, 2022. a
Tomlin, A. S. and Turányi, T.: Mechanism reduction to skeletal form and species lumping, in: Cleaner Combustion, edited by: Battin-Leclerc, F., Simmie, J. M., and Blurock, E., Springer Verlag, Berlin, 447–466, https://doi.org/10.1007/978-1-4471-5307-8_17, 2013. a
Turányi, T. and Tomlin, A. S.: Analysis of Kinetic Reaction Mechanisms, Springer Verlag, Heidelberg, https://doi.org/10.1007/978-3-662-44562-4, 2014. a
Watson, L. A., Shallcross, D. E., Utembe, S. R., and Jenkin, M. E.: A Common Representative Intermediates (CRI) mechanism for VOC degradation. Part 2: Gas phase mechanism reduction, Atmos. Environ., 42, 7196–7204, https://doi.org/10.1016/J.atmosenv.2008.07.034, 2008. a
Westbrook, C. K., Pitz, W. J., Herbinet, O., Curran, H. J., and Silke, E. J.: A comprehensive detailed chemical kinetic reaction mechanism for combustion of n-alkane hydrocarbons from n-octane to n-hexadecane, Combust. Flame, 156, 181–199, https://doi.org/10.1016/J.combustflame.2008.07.014, 2009. a
Short summary
The open-source software MEXPLORER 1.0.0 is presented here. The program can be used to analyze, reduce, and visualize complex chemical reaction mechanisms. The mathematics behind the tool is based on graph theory: chemical species are represented as vertices, and reactions as edges. MEXPLORER is a community model published under the GNU General Public License.
The open-source software MEXPLORER 1.0.0 is presented here. The program can be used to analyze,...
