Carbox: an end-to-end differentiable astrochemical simulation framework

Fuente: arXiv
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Main Authors: Vermariën, Gijs, Grassi, Tommaso, Van de Sande, Marie, Viti, Serena, Bovino, Stefano, Lupi, Alessandro, Ruf, Alexander, Branca, Lorenzo, Walsh, Catherine
Format: Preprint
Published: 2025
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author Vermariën, Gijs
Grassi, Tommaso
Van de Sande, Marie
Viti, Serena
Bovino, Stefano
Lupi, Alessandro
Ruf, Alexander
Branca, Lorenzo
Walsh, Catherine
author_facet Vermariën, Gijs
Grassi, Tommaso
Van de Sande, Marie
Viti, Serena
Bovino, Stefano
Lupi, Alessandro
Ruf, Alexander
Branca, Lorenzo
Walsh, Catherine
contents Since the first observations of interstellar molecules, astrochemical simulations have been employed to model and understand its formation and destruction path- ways. With the advent of high-resolution telescopes such as JWST and ALMA, the number of detected molecules has increased significantly, thereby creating a need for increasingly complex chemical reaction networks. To model such complex systems, we have developed Carbox, a new astrochemical simulation code that leverages the modern high-performance transformation framework Jax. With Jax enabling computational efficiency and differentiability, Carbox can easily utilize GPU acceleration, be used to study sensitivity and uncertainty, and interface with advances in Scientific Machine Learning. All of these features are crucial for modeling the molecules observed by current and next-generation telescopes.
format Preprint
id arxiv_https___arxiv_org_abs_2511_10558
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Carbox: an end-to-end differentiable astrochemical simulation framework
Vermariën, Gijs
Grassi, Tommaso
Van de Sande, Marie
Viti, Serena
Bovino, Stefano
Lupi, Alessandro
Ruf, Alexander
Branca, Lorenzo
Walsh, Catherine
Astrophysics of Galaxies
Instrumentation and Methods for Astrophysics
Since the first observations of interstellar molecules, astrochemical simulations have been employed to model and understand its formation and destruction path- ways. With the advent of high-resolution telescopes such as JWST and ALMA, the number of detected molecules has increased significantly, thereby creating a need for increasingly complex chemical reaction networks. To model such complex systems, we have developed Carbox, a new astrochemical simulation code that leverages the modern high-performance transformation framework Jax. With Jax enabling computational efficiency and differentiability, Carbox can easily utilize GPU acceleration, be used to study sensitivity and uncertainty, and interface with advances in Scientific Machine Learning. All of these features are crucial for modeling the molecules observed by current and next-generation telescopes.
title Carbox: an end-to-end differentiable astrochemical simulation framework
topic Astrophysics of Galaxies
Instrumentation and Methods for Astrophysics
url https://arxiv.org/abs/2511.10558