Preprints
https://doi.org/10.5194/egusphere-2025-4376
https://doi.org/10.5194/egusphere-2025-4376
29 Sep 2025
 | 29 Sep 2025
Status: this preprint is open for discussion and under review for Geoscientific Model Development (GMD).

TChem-atm (v2.0.0): Scalable Performance-Portable Multiphase Atmospheric Chemistry

Oscar H. Díaz-Ibarra, Samuel G. Frederick, Jeffrey H. Curtis, Zachary D'Aquino, Peter A. Bosler, Lekha Patel, Cosmin Safta, Matthew West, and Nicole Riemer

Abstract. We present TChem-atm, a performance-portable approach that enables efficient simulation of chemically detailed and multiphase atmospheric chemistry on modern heterogeneous computing architectures. Unlike previous efforts that rely on architecture-specific code or focus exclusively on gas-phase chemistry, TChem-atm supports fully coupled gas–aerosol systems with execution across CPUs, NVIDIA GPUs, and AMD GPUs through the Kokkos programming model. It integrates the flexible multiphase capabilities of the Community Atmospheric Model Chemistry Package (CAMP) with the high performance kinetic routines of TChem, and includes automatic Jacobian construction with support for a range of stiff ODE solvers. We demonstrate TChem-atm's integration into the particle-resolved aerosol model PartMC and validate its accuracy against the existing PartMC–CAMP implementation, showing agreement within solver tolerances. Performance benchmarks reveal substantial speedups on GPU platforms, particularly for large particle populations, with consistent results across hardware backends. By enabling chemically detailed, multiphase simulations with true performance portability and host-model flexibility, TChem-atm provides a new foundation for next-generation atmospheric models.

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Oscar H. Díaz-Ibarra, Samuel G. Frederick, Jeffrey H. Curtis, Zachary D'Aquino, Peter A. Bosler, Lekha Patel, Cosmin Safta, Matthew West, and Nicole Riemer

Status: open (until 24 Nov 2025)

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Oscar H. Díaz-Ibarra, Samuel G. Frederick, Jeffrey H. Curtis, Zachary D'Aquino, Peter A. Bosler, Lekha Patel, Cosmin Safta, Matthew West, and Nicole Riemer

Data sets

Data for TChem-atm (v2.0.0): Scalable Performance-Portable Multiphase Atmospheric Chemistry O. H. Díaz-Ibarra et al. https://doi.org/10.13012/B2IDB-3697767_V1

Model code and software

TChem-atm version 2.0.0, O. H. Díaz-Ibarra et al. https://doi.org/10.5281/zenodo.17058144

Oscar H. Díaz-Ibarra, Samuel G. Frederick, Jeffrey H. Curtis, Zachary D'Aquino, Peter A. Bosler, Lekha Patel, Cosmin Safta, Matthew West, and Nicole Riemer
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Latest update: 29 Sep 2025
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Short summary
We developed TChem-atm, a new open-source tool for simulating atmospheric chemistry and aerosols. As models become more detailed, traditional methods are too slow. TChem-atm runs on both standard processors and graphics processors, making these simulations faster and more efficient. The tool provides a foundation for next-generation models that improve predictions of air quality and climate.
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