Related papers: SIMBA: A Python-based single-point astrochemical s…
The physical processes driving the chemical evolution of galaxies in the last $\sim 11\, \rm{Gyr}$ cannot be understood without directly probing the dust-obscured phase of star-forming galaxies and active galactic nuclei. This phase, hidden…
We present cogsworth, an open-source Python tool for producing self-consistent population synthesis and galactic dynamics simulations. With cogsworth one can (1) sample a population of binaries and star formation history, (2) perform rapid…
Single-cell RNA sequencing (scRNA-seq) enables high-resolution analysis of cellular heterogeneity, but its complexity, which is marked by high dimensionality, sparsity, and batch effects, which poses major computational challenges.…
In this paper, we present ChemRecon, a meta-database and Python interface for integrating and exploring biochemical data across multiple heterogeneous resources by consolidating compounds, reactions, enzymes, molecular structures, and…
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…
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…
The dynamics of open quantum systems is governed by the Lindblad master equation, which provides a consistent framework for incorporating environmental effects into the evolution of the system. Since exact solutions are rarely available,…
Chemical evolution models are useful for understanding the formation and evolution of stars and galaxies. Model predictions will be more robust as more observational constraints are used. We present chemical evolution models for the dwarf…
PySCF is a general-purpose electronic structure platform designed from the ground up to emphasize code simplicity, both to aid new method development, as well as for flexibility in computational workflow. The package provides a wide range…
(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…
Simbad is the reference database for identification and bibliography of astronomical objects. It contains identifications, `basic data', bibliography, and selected observational measurements for several million astronomical objects. Simbad…
New experimental results on bacterial growth inspire a novel top-down approach to study cell metabolism, combining mass balance and proteomic constraints to extend and complement Flux Balance Analysis. We introduce here Constrained…
Chemical composition of a molecular cloud is highly sensitive to the physical properties of the cloud. In order to obtain the chemical composition around a star forming region, we carry out a two dimensional hydrodynamical simulation of the…
We present a new approach to study galaxy evolution in a cosmological context. We combine cosmological merger trees and semi-analytic models of galaxy formation to provide the initial conditions for multi-merger hydrodynamic simulations. In…
We present new fully self-consistent models of the formation and evolution of isolated dwarf galaxies. We have used the publicly available N-body/SPH code HYDRA, to which we have added a set of star formation criteria, and prescriptions for…
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 Lindblad equation determines the time evolution of the density operator of open quantum systems. While valid for any system size, its use is, in practice, restricted to prototype/surrogate models with the aim of tackling specific…
Enhanced sampling algorithms have emerged as powerful methods to extend the utility of molecular dynamics simulations and allow the sampling of larger portions of the configuration space of complex systems in a given amount of simulation…
As wide-field surveys yield ever more precise measurements, cosmology has entered a phase of high precision requiring highly accurate and fast theoretical predictions. At the heart of most cosmological model predictions is a numerical…
This paper presents a review of ideas that interconnect Astrochemistry and Galactic Dynamics. Since these two areas are vast and not recent, each one has already been covered separately by several reviews. After a general historical…