Related papers: A fast neural emulator for interstellar chemistry
Large-scale first principles molecular dynamics are crucial for simulating complex processes in chemical, biomedical, and materials sciences. However, the unfavorable time complexity with respect to system sizes leads to prohibitive…
Aims: We aim to simulate radial profiles of molecular abundances and the gas temperature in cold and heavily shielded starless cores by combining chemical and radiative transfer models. Methods: A determination of the dust temperature in a…
Molecular circuits capable of autonomous learning could unlock novel applications in fields such as bioengineering and synthetic biology. To this end, existing chemical implementations of neural computing have mainly relied on emulating…
We combine dynamical and non-equilibrium chemical modeling of evolving prestellar molecular cloud cores, and explore the evolution of molecular abundances in the contracting core. We model both magnetic cores, with varying degrees of…
Toxicity prediction of chemical compounds is a grand challenge. Lately, it achieved significant progress in accuracy but using a huge set of features, implementing a complex blackbox technique such as a deep neural network, and exploiting…
Increasing resolution and coverage of astrophysical and climate data necessitates increasingly sophisticated models, often pushing the limits of computational feasibility. While emulation methods can reduce calculation costs, the neural…
Stars' chemical signatures provide invaluable insights into stellar cluster formation. This study utilized the Weisfeiler-Lehman (WL) Graph Kernel to examine a 15-dimensional elemental abundance space. Through simulating chemical…
Context. Convolutional neural networks (CNNs) have been established as the go-to method for fast object detection and classification on natural images. This opens the door for astrophysical parameter inference on the exponentially…
Cosmic-rays are the primary initiators of interstellar chemistry, and getting a better understanding of the varying impact they have on the chemistry of interstellar clouds throughout the Milky Way will not only expand our understanding of…
Cosmic-ray acceleration processes in astrophysical plasmas are often investigated with fully-kinetic or hybrid kinetic numerical simulations, which enable us to describe a detailed microphysics of particle energization mechanisms. Tracing…
The formation of structure in the Universe at large scales is dominated by gravity, with baryonic physics becoming significant at $\sim{\rm Mpc}$ scales. To capture the impact of baryonic physics, cosmological simulations must model gas…
The computation of complex neutral/ionised chemical equilibrium compositions is invaluable to obtain scientific insights of, for example, the atmospheres of extrasolar planets and cool stars. We present FastChem 2, a new version of the…
The number density of galaxy clusters across mass and redshift has been established as a powerful cosmological probe. Cosmological analyses with galaxy clusters traditionally employ scaling relations. However, many challenges arise from…
We demonstrate a GPU-accelerated nested sampling framework for efficient high-dimensional Bayesian inference in cosmology. Using JAX-based neural emulators and likelihoods for cosmic microwave background and cosmic shear analyses, our…
Generative models have achieved impressive results in many domains including image and text generation. In the natural sciences, generative models have led to rapid progress in automated drug discovery. Many of the current methods focus on…
Binary star systems are assumed to be co-natal and coeval, thus to have identical chemical composition. In this work we aim to test the hypothesis that there is a connection between observed element abundance patterns and the formation of…
We present the modules for stellar nucleosynthesis, stellar mass loss, and turbulent diffusion of the new COLIBRE subgrid model for cosmological hydrodynamical simulations of galaxy formation. COLIBRE models the thermal evolution of the…
Methanol, one of the simplest complex organic molecules in the Interstellar Medium (ISM), has been shown to be present and extended in cold environments such as starless cores. We aim at studying methanol emission across several starless…
We study conditions under which carbon clusters of different sizes form and stabilize. {We describe an approach to equilibrium by simulating tenuous carbon gas dynamics to long times.} First, we use reactive molecular dynamics simulations…
Bubble chambers and droplet detectors used in dosimetry and dark matter particle search experiments use a superheated metastable liquid in which nuclear recoils trigger bubble nucleation. This process is described by the classical heat…