Articles | Volume 17, issue 6
https://doi.org/10.5194/gmd-17-2419-2024
https://doi.org/10.5194/gmd-17-2419-2024
Methods for assessment of models
 | 
25 Mar 2024
Methods for assessment of models |  | 25 Mar 2024

MEXPLORER 1.0.0 – a mechanism explorer for analysis and visualization of chemical reaction pathways based on graph theory

Rolf Sander

Related authors

Optimized step size control within the Rosenbrock solvers for stiff chemical ODE systems in KPP version 2.2.3_rs4
Raphael Dreger, Timo Kirfel, Andrea Pozzer, Simon Rosanka, Rolf Sander, and Domenico Taraborrelli
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2024-166,https://doi.org/10.5194/gmd-2024-166, 2025
Preprint under review for GMD
Short summary
Short lifetimes of organic nitrates in a sub-urban temperate forest indicate efficient assimilation of reactive nitrogen by the biosphere
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
EGUsphere, https://doi.org/10.5194/egusphere-2024-3437,https://doi.org/10.5194/egusphere-2024-3437, 2024
Short summary
Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.7.0)
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
How non-equilibrium aerosol chemistry impacts particle acidity: the GMXe AERosol CHEMistry (GMXe–AERCHEM, v1.0) sub-submodel of MESSy
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
Comprehensive multiphase chlorine chemistry in the box model CAABA/MECCA: implications for atmospheric oxidative capacity
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

Related subject area

Atmospheric sciences
Accurate space-based NOx emission estimates with the flux divergence approach require fine-scale model information on local oxidation chemistry and profile shapes
Felipe Cifuentes, Henk Eskes, Enrico Dammers, Charlotte Bryan, and Folkert Boersma
Geosci. Model Dev., 18, 621–649, https://doi.org/10.5194/gmd-18-621-2025,https://doi.org/10.5194/gmd-18-621-2025, 2025
Short summary
Exploring a high-level programming model for the NWP domain using ECMWF microphysics schemes
Stefano Ubbiali, Christian Kühnlein, Christoph Schär, Linda Schlemmer, Thomas C. Schulthess, Michael Staneker, and Heini Wernli
Geosci. Model Dev., 18, 529–546, https://doi.org/10.5194/gmd-18-529-2025,https://doi.org/10.5194/gmd-18-529-2025, 2025
Short summary
Quantifying uncertainties in satellite NO2 superobservations for data assimilation and model evaluation
Pieter Rijsdijk, Henk Eskes, Arlene Dingemans, K. Folkert Boersma, Takashi Sekiya, Kazuyuki Miyazaki, and Sander Houweling
Geosci. Model Dev., 18, 483–509, https://doi.org/10.5194/gmd-18-483-2025,https://doi.org/10.5194/gmd-18-483-2025, 2025
Short summary
ML-AMPSIT: Machine Learning-based Automated Multi-method Parameter Sensitivity and Importance analysis Tool
Dario Di Santo, Cenlin He, Fei Chen, and Lorenzo Giovannini
Geosci. Model Dev., 18, 433–459, https://doi.org/10.5194/gmd-18-433-2025,https://doi.org/10.5194/gmd-18-433-2025, 2025
Short summary
Coupling the urban canopy model TEB (SURFEXv9.0) with the radiation model SPARTACUS-Urbanv0.6.1 for more realistic urban radiative exchange calculation
Robert Schoetter, Robin James Hogan, Cyril Caliot, and Valéry Masson
Geosci. Model Dev., 18, 405–431, https://doi.org/10.5194/gmd-18-405-2025,https://doi.org/10.5194/gmd-18-405-2025, 2025
Short summary

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
Download
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.
Share