Articles | Volume 18, issue 11
https://doi.org/10.5194/gmd-18-3241-2025
https://doi.org/10.5194/gmd-18-3241-2025
Model description paper
 | 
02 Jun 2025
Model description paper |  | 02 Jun 2025

Alquimia v1.0: a generic interface to biogeochemical codes – a tool for interoperable development, prototyping and benchmarking for multiphysics simulators

Sergi Molins, Benjamin J. Andre, Jeffrey N. Johnson, Glenn E. Hammond, Benjamin N. Sulman, Konstantin Lipnikov, Marcus S. Day, James J. Beisman, Daniil Svyatsky, Hang Deng, Peter C. Lichtner, Carl I. Steefel, and J. David Moulton

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Cited articles

Andre, B., Molins, S., Johnson, J., and Steefel, C.: Alquimia, U.S. Department of Energy Office of Scientific and Technical Information, https://doi.org/10.11578/DC.20210416.49, 2013. a, b
Andre, B., Molins, S., Johnson, J., and Steefel, C. I.: Alquimia, GitHub, https://github.com/LBL-EESA/alquimia-dev (last access: 25 May 2025), 2015. a
Balos, C. J., Day, M., Esclapez, L., Felden, A. M., Gardner, D. J., Hassanaly, M., Reynolds, D. R., Rood, J. S., Sexton, J. M., Wimer, N. T., and Woodward, C. S.: SUNDIALS time integrators for exascale applications with many independent systems of ordinary differential equations, Int. J. High Perform. C., 39, 123–146, https://doi.org/10.1177/10943420241280060, 2025. a
Bao, C., Li, L., Shi, Y., and Duffy, C.: Understanding watershed hydrogeochemistry: 1. Development of RT?Flux?PIHM, Water Resour. Res., 53, 2328–2345, https://doi.org/10.1002/2016WR018934, 2017. a
Bartlett, R., Demeshko, I., Gamblin, T., Hammond, G., Heroux, M. A., Johnson, J., Klinvex, A., Li, X., McInnes, L. C., Moulton, J. D., Osei-Kuffuor, D., Sarich, J., Smith, B., Willenbring, J., and Yang, U. M.: xSDK Foundations: Toward an Extreme-scale Scientific Software Development Kit, Supercomputing Frontiers and Innovations, 4, 69–82, https://doi.org/10.14529/jsfi170104, 2017. a, b
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Short summary
Developing scientific software and making sure it functions properly requires a significant effort. As we advance our understanding of natural systems, however, there is the need to develop yet more complex models and codes. In this work, we present a piece of software that facilitates this work, specifically with regard to reactive processes. Existing tried-and-true codes are made available via this new interface, freeing up resources to focus on the new aspects of the problems at hand.
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