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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

We demonstrate the use of neural networks to accelerate the reaction steps in the MAESTROeX stellar hydrodynamics code. A traditional MAESTROeX simulation uses a stiff ODE integrator for the reactions; here we employ a ResNet architecture…

Solar and Stellar Astrophysics · Physics 2022-12-07 Duoming Fan , Donald E. Willcox , Christopher DeGrendele , Michael Zingale , Andrew Nonaka

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…

We utilize neural operators to learn the solution propagator for the challenging chemical kinetics equation. Specifically, we apply the deep operator network (DeepONet) along with its extensions, such as the autoencoder-based DeepONet and…

Chemical Physics · Physics 2023-02-27 Somdatta Goswami , Ameya D. Jagtap , Hessam Babaee , Bryan T. Susi , George Em Karniadakis

By using a novel interface between the modern smoothed particle hydrodynamics code GASOLINE2 and the chemistry package KROME, we follow the hydrodynamical and chemical evolution of an isolated galaxy. In order to assess the relevance of…

Astrophysics of Galaxies · Physics 2018-01-24 Pedro R. Capelo , Stefano Bovino , Alessandro Lupi , Dominik R. G. Schleicher , Tommaso Grassi

We introduce the PRISM interstellar medium (ISM) model for thermochemistry and its implementation in the RAMSES-RTZ code. The model includes a non-equilibrium primordial, metal, and molecular chemistry network for 115 species coupled to…

Estimating rate coefficients from complex chemical reactions is essential for advancing detailed chemistry. However, the stiffness inherent in real-world atmospheric chemistry systems poses severe challenges, leading to training instability…

Machine Learning · Computer Science 2025-09-01 Wenqing Peng , Zhi-Song Liu , Michael Boy

Galactic systems are inherently multiphase, and understanding the roles and interactions of the various phases is key towards a more complete picture of galaxy formation and evolution. For instance, these interactions play a pivotal role in…

Astrophysics of Galaxies · Physics 2025-02-07 Brent Tan

In many astrophysical applications, the cost of solving a chemical network represented by a system of ordinary differential equations (ODEs) grows significantly with the size of the network, and can often represent a significant…

Instrumentation and Methods for Astrophysics · Physics 2022-12-21 T. Grassi , F. Nauman , J. P. Ramsey , S. Bovino , G. Picogna , B. Ercolano

Chemical kinetics mechanisms are essential for understanding, analyzing, and simulating complex combustion phenomena. In this study, a Neural Ordinary Differential Equation (Neural ODE) framework is employed to optimize kinetics parameters…

Chemical Physics · Physics 2022-09-07 Xingyu Su , Weiqi Ji , Jian An , Zhuyin Ren , Sili Deng , Chung K. Law

The high computational cost associated with solving for detailed chemistry poses a significant challenge for predictive computational fluid dynamics (CFD) simulations of turbulent reacting flows. These models often require solving a system…

Computational Physics · Physics 2024-03-05 Tadbhagya Kumar , Anuj Kumar , Pinaki Pal

The optical depth to reionization, a key parameter of the $\Lambda$CDM model, can be computed within astrophysical frameworks for star formation by modeling the evolution of the intergalactic medium. Accurate evaluation of this parameter is…

Cosmology and Nongalactic Astrophysics · Physics 2025-03-17 Gaétan Facchinetti

Radiative processes play a pivotal role in shaping the thermal and chemical states of gas across diverse astrophysical environments, from the interstellar medium (ISM) to the intergalactic medium. We present a hybrid cooling model for…

We present simulations of star forming filaments incorporating - to our knowledge - the largest chemical network used to date on-the-fly in a 3D-MHD simulation. The network contains 37 chemical species and about 300 selected reaction rates.…

Astrophysics of Galaxies · Physics 2016-06-01 D. Seifried , S. Walch

Deep learning has an increasing impact to assist research, allowing, for example, the discovery of novel materials. Until now, however, these artificial intelligence techniques have fallen short of discovering the full differential equation…

Operator learning has emerged as a promising paradigm for developing efficient surrogate models to solve partial differential equations (PDEs). However, existing approaches often overlook the domain knowledge inherent in the underlying PDEs…

Machine Learning · Computer Science 2025-10-20 Ziqian Li , Kang Liu , Yongcun Song , Hangrui Yue , Enrique Zuazua

Multiscale modeling is an effective approach for investigating multiphysics systems with largely disparate size features, where models with different resolutions or heterogeneous descriptions are coupled together for predicting the system's…

Computational Engineering, Finance, and Science · Computer Science 2022-12-07 Minglang Yin , Enrui Zhang , Yue Yu , George Em Karniadakis

Neural networks are one tool for approximating non-linear differential equations used in scientific computing tasks such as surrogate modeling, real-time predictions, and optimal control. PDE foundation models utilize neural networks to…

Machine Learning · Computer Science 2025-02-11 Elisa Negrini , Yuxuan Liu , Liu Yang , Stanley J. Osher , Hayden Schaeffer

We propose a new model for treating solid-phase photoprocesses in interstellar ice analogues. In this approach, photoionization and photoexcitation are included in more detail, and the production of electronically-excited (suprathermal)…

We present an efficient heating/cooling method coupled with chemistry and ultraviolet (UV) radiative transfer, which can be applied to numerical simulations of the interstellar medium (ISM). We follow the time-dependent evolution of…

Astrophysics of Galaxies · Physics 2022-12-28 Jeong-Gyu Kim , Munan Gong , Chang-Goo Kim , Eve C. Ostriker