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We present a neural-network emulator for the thermal and chemical evolution in Population III star formation. The emulator accurately reproduces the thermochemical evolution over a wide density range spanning 21 orders of magnitude…

Astrophysics of Galaxies · Physics 2026-05-18 Sojun Ono , Kazuyuki Sugimura

In studies of the interstellar medium in galaxies, radiative transfer models of molecular emission are useful for relating molecular line observations back to the physical conditions of the gas they trace. However, doing this requires…

Astrophysics of Galaxies · Physics 2019-10-02 Damien de Mijolla , Serena Viti , Jonathan Holdship , Ioanna Manolopoulou , Jeremy Yates

Computer simulations are invaluable tools for scientific discovery. However, accurate simulations are often slow to execute, which limits their applicability to extensive parameter exploration, large-scale data analysis, and uncertainty…

With the advent of large spectroscopic surveys the amount of high quality chemo-dynamical data in the Milky Way (MW) increased tremendously. Accurately and correctly capturing and explaining the detailed features in the high-quality…

Chemical modelling serves two purposes in dynamical models: accounting for the effect of microphysics on the dynamics and providing observable signatures. Ideally, the former must be done as part of the hydrodynamic simulation but this…

Computational Physics · Physics 2021-09-15 J. Holdship , S. Viti , T. J. Haworth , J. D. Ilee

In this era of exoplanet characterisation with JWST, the need for a fast implementation of classical forward models to understand the chemical and physical processes in exoplanet atmospheres is more important than ever. Notably, the…

Earth and Planetary Astrophysics · Physics 2023-06-28 Julius L. A. M. Hendrix , Amy J. Louca , Yamila Miguel

The development of molecular complexity during stellar and planetary formation owes much to the interaction of gas and dust. When the first astrochemical models including solid-state chemistry were developed more than forty years ago, data…

Molecular oxygen has been the subject of many observational searches as chemical models predicted it to be a reservoir of oxygen. Although it has been detected in two regions of the interstellar medium, its rarity is a challenge for…

Astrophysics of Galaxies · Physics 2019-06-04 V. Wakelam , M. Ruaud , P. Gratier , I. A. Bonnell

This paper presents the first results from a model for chemical evolution that can be applied to N-body cosmological simulations and quantitatively compared to measured stellar abundances from large astronomical surveys. This model…

Astrophysics of Galaxies · Physics 2015-09-29 Brian D. Crosby , Brian W. O'Shea , Timothy C. Beers , Jason Tumlinson

The computational expense of solving non-equilibrium chemistry equations in astrophysical simulations poses a significant challenge, particularly in high-resolution, large-scale cosmological models. In this work, we explore the potential of…

Instrumentation and Methods for Astrophysics · Physics 2025-07-18 Pelle van de Bor , John Brennan , John A. Regan , Jonathan Mackey

Galaxy formation and evolution critically depend on understanding the complex photo-chemical processes that govern the evolution and thermodynamics of the InterStellar Medium (ISM). Computationally, solving chemistry is among the most heavy…

Astrophysics of Galaxies · Physics 2024-02-21 Lorenzo Branca , Andrea Pallottini

Chemical transport models (CTMs), which simulate air pollution transport, transformation, and removal, are computationally expensive, largely because of the computational intensity of the chemical mechanisms: systems of coupled differential…

Atmospheric and Oceanic Physics · Physics 2018-08-14 Makoto M. Kelp , Christopher W. Tessum , Julian D. Marshall

Modeling atmospheric chemistry is complex and computationally intense. Given the recent success of Deep neural networks in digital signal processing, we propose a Neural Network Emulator for fast chemical concentration modeling. We consider…

Machine Learning · Computer Science 2025-01-16 Zhi-Song Liu , Petri Clusius , Michael Boy

A novel approach is presented for the solution of instantaneous chemical equilibrium problems. The chemical equilibrium can be considered, due to its intrinsically local character, as a mapping of the three-dimensional parameter space…

Astrophysics · Physics 2009-11-11 A. Asensio Ramos , H. Socas-Navarro

Computational astrochemical models are essential for helping us interpret and understand the observations of different astrophysical environments. In the age of high-resolution telescopes such as JWST and ALMA, the substructure of many…

Astrophysics of Galaxies · Physics 2025-06-18 Gijs Vermariën , Thomas G. Bisbas , Serena Viti , Yue Zhao , Xuefei Tang , Rahul Ravichandran

The interpretation of observations of atomic and molecular tracers in the galactic and extragalactic interstellar medium (ISM) requires comparisons with state-of-the-art astrophysical models to infer some physical conditions. Usually, ISM…

From observations, column density ratios or integrated intensity ratios between some species exhibit monotonic increase or decrease along with the evolution of high-mass star-forming regions (HMSFRs). Such ratios are defined as chemical…

Astrophysics of Galaxies · Physics 2025-02-27 Yao Wang , Fujun Du , Youxin Wang , Hongchi Wang , Jiangshui Zhang

Artificial neural network emulators have been demonstrated to be a very computationally efficient method to rapidly generate galaxy spectral energy distributions (SEDs), for parameter inference or otherwise. Using a highly flexible and fast…

Species abundances in the interstellar medium (ISM) strongly depend on the chemistry occurring at the surfaces of the dust grains. To describe the complexity of the chemistry, various numerical models have been constructed. In most of these…

Astrophysics of Galaxies · Physics 2018-07-04 Wasim Iqbal , Valentine Wakelam

(Abridged) We explore the chemistry of the most abundant C, O, S, and N bearing species in molecular clouds, in the context of the IRAM 30 m Large Programme Gas phase Elemental abundances in Molecular Clouds (GEMS). In this work, we aim to…

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