Related papers: Incorporating Astrochemistry into Molecular Line M…
Radiative transfer is a fundamental process in astrophysics, essential for both interpreting observations and modeling thermal and dynamical feedback in simulations via ionizing radiation and photon pressure. However, numerically solving…
We compare an evolutionary chemical model with simple empirical models of the abundance and with static chemical models. We focus on the prediction of molecular line profiles that are commonly observed in low mass star forming cores. We…
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…
Dust is a major component of the interstellar medium. Through scattering, absorption and thermal re-emission, it can profoundly alter astrophysical observations. Models for dust composition and distribution are necessary to better…
Molecules in space are synthesized via a large variety of gas-phase reactions, and reactions on dust-grain surfaces, where the surface acts as a catalyst. Especially, saturated, hydrogen-rich molecules are formed through surface chemistry.…
Cosmological simulations play a crucial role in elucidating the effect of physical parameters on the statistics of fields and on constraining parameters given information on density fields. We leverage diffusion generative models to address…
The description of the tempo-spatial evolution of the composition of cosmic gas on galactic scales is called 'modelling galactic chemical evolution'. It aims to use knowledge about sources of nucleosynthesis and how they change the…
The theory of radiative transfer provides the link between the physical conditions in an astrophysical object and the observable radiation which it emits. Thus accurately modelling radiative transfer is often a necessary part of testing…
We have designed an improved algorithm that enables us to simulate the chemistry of cold dense interstellar clouds with a full gas-grain reaction network. The chemistry is treated by a unified microscopic-macroscopic Monte Carlo approach…
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…
Computationally expensive Radiative Transfer Models (RTMs) are widely used} to realistically reproduce the light interaction with the Earth surface and atmosphere. Because these models take long processing time, the common practice is to…
The characterization of interstellar chemical inventories provides valuable insight into the chemical and physical processes in astrophysical sources. The discovery of new interstellar molecules becomes increasingly difficult as the number…
Molecular line emission is a powerful probe of the physical conditions of astrophysical objects but can be complex to model, and it is often unclear which transitions would be the best targets for observers who wish to constrain a given…
Laboratory experiments play a key role in deciphering the chemistry of the interstellar medium (ISM) and the role that product complex organic molecules (COMs) may play in the origins of life. However, to date, most studies in experimental…
Stochastic fluctuations of molecule numbers are ubiquitous in biological systems. Important examples include gene expression and enzymatic processes in living cells. Such systems are typically modelled as chemical reaction networks whose…
Molecular representation is a critical element in our understanding of the physical world and the foundation for modern molecular machine learning. Previous molecular machine learning models have employed strings, fingerprints, global…
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…
This chapter provides a brief introduction to the theory and practice of spatial stochastic simulations. It begins with an overview of different methods available for biochemical simulations highlighting their strengths and limitations.…
Astrochemistry aims at studying chemical processes in astronomical environments. This discipline -- located at the crossroad between astrophysics and chemistry -- is rapidly evolving and explores the issue of the formation of molecules of…
Reactions between atomic nuclei are measured in great detail in terrestrial laboratory experiments; transferring and extrapolating this knowledge to how the same reactions act within cosmic environments presents major challenges.…