Related papers: Incorporating Astrochemistry into Molecular Line M…
We discuss applications of statistical-mechanical lattice-gas models to study static and dynamic aspects of electrochemical adsorption. The strategy developed to describe specific systems includes microscopic model formulation, calculation…
We are just starting to understand the physical processes driving the dramatic change in cosmic star-formation rate between $z\sim 2$ and the present day. A quantity directly linked to star formation is the molecular gas density, which…
Model atoms are an integral part in the solution of non-LTE problems. They comprise the atomic input data that are used to specify the statistical equilibrium equations and the opacities and emissivities of radiative transfer. A realistic…
The past decade has led to significant improvements in our understanding of the physical structure of the molecular cores of cold dark clouds. Observational efforts, in combination with improved knowledge of cloud structure, now provide…
We introduce a simple and efficient algorithm for diffusion in smoothed particle hydrodynamics (SPH) simulations and apply it to the problem of chemical mixing. Based on the concept of turbulent diffusion, we link the diffusivity of a…
The main achievements, current developments and prospects of molecular studies in external galaxies are reviewed. They are put in the context of the results of several decades of studies of molecules in local interstellar medium, their…
Maps of cosmic structure produced by galaxy surveys are one of the key tools for answering fundamental questions about the Universe. Accurate theoretical predictions for these quantities are needed to maximize the scientific return of these…
Context. Astrochemical modeling requires, as input, the effective column density of gas (or extinction) that attenuates an external, isotropic, far-ultraviolet radiation field. In three-dimensional simulations, this can be calculated…
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…
Many molecules observed in the interstellar medium are thought to result from thermal desorption of ices. Parameters such as desorption energy and pre-exponential frequency factor are essential to describe the desorption of molecules.…
With the chemical reaction rate database UMIST95 (Millar et al. 1997) we analyze how uncertainties in rate constants of gas-phase chemical reactions influence the modelling of molecular abundances in the interstellar medium. Random…
Modeling emission lines from the millimeter to the UV and producing synthetic spectra is crucial for a good understanding of observations, yet it is an art filled with hazards. This is the proceedings of "Walking the Line", a 3-day…
The chemistry of an astrophysical environment is closely coupled to its dynamics, the latter often found to be complex. Hence, to properly model these environments a 3D context is necessary. However, solving chemical kinetics within a 3D…
A parameterization strategy for molecular models on the basis of force fields is proposed, which allows a rapid development of models for small molecules by using results from quantum mechanical (QM) ab initio calculations and thermodynamic…
Adsorption is a relevant process in many fields, such as product manufacturing or pollution remediation in porous materials. Adsorption takes place at the molecular scale, amenable to be modeled by Lagrangian numerical methods. We have…
Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…
The study of ultra-high energy cosmic rays (UHECR) at Earth cannot prescind from the study of their propagation in the Universe. In this paper, we present HERMES, the \emph{ad hoc} Monte Carlo code we have developed for the realistic…
We develop a new realistic prescription for modeling the stellar feedback, which minimizes any ad hoc assumptions about sub-grid physics. We start with developing high resolution models of the ISM and formulate the conditions required for…
We run numerical simulations of molecular clouds (MCs), adopting properties similar to those found in the Central Molecular Zone (CMZ) of the Milky Way. For this, we employ the moving mesh code Arepo and perform simulations which account…
Context. Generative models open up the possibility to interrogate scientific data in a more data-driven way. Aims: We propose a method that uses generative models to explore hypotheses in astrophysics and other areas. We use a neural…