Related papers: FastChem 4: New chemical elements and improved con…

A fully implicit scheme is proposed for solving the heat equation in 1D heterogeneous media, available as a computationally efficient open-source Python code. The algorithm uses finite differences on an irregular grid and is unconditionally…

We present a detailed abundance analysis of 23 elements for a newly discovered carbon-enhanced metal-poor (CEMP) star, HE 0414-0343, from the Chemical Abundances of Stars in the Halo (CASH) Project. Its spectroscopic stellar parameters are…

Three dimensional models that account for chemistry are useful tools to predict the chemical composition of (exo)planet and brown dwarf atmospheres and interpret observations of future telescopes. Recent Juno observations of the NH3…

Observations of elemental abundances in the Galaxy have repeatedly shown an intrinsic scatter as a function of time and metallicity. The standard approach to chemical evolution does not attempt to address this scatter in abundances since…

Constraining the chemical structure of exoplanetary atmospheres is pivotal for interpreting spectroscopic data and understanding planetary evolution. Traditional retrieval methods often assume thermochemical equilibrium or free profiles,…

The Open Cluster Chemical Abundances and Mapping (OCCAM) survey aims to constrain key Galactic dynamical and chemical evolution parameters by the construction of a large, comprehensive, uniform, infrared-based spectroscopic data set of…

We survey the current situation regarding chemical modelling of the synthesis of molecules in the interstellar medium. The present state of knowledge concerning the rate coefficients and their uncertainties for the major gas-phase processes…

The uncertainties which still plague our understanding of the evolution of the light nuclides D, 3He and 4He in the Galaxy are described. Measurements of the local abundance of deuterium range over a factor of 3. The observed dispersion can…

Measured differential elastic scattering cross sections of 17.71-, 20.97-, and 23.72-MeV neutrons from liquid helium-4 were re-evaluated and corrected for sample size and multiple scattering effects by means of a Monte Carlo technique…

Motivated by the need for realistic, dynamically self-consistent, evolving galaxy models that avoid the complexity of full, and zoom-in, cosmological simulations, we have developed NEXUS, an integral framework to create and evolve synthetic…

With its origin coming from several sources (Big Bang, stars, cosmic rays) and given its strong depletion during its stellar lifetime, the lithium element is of great interest as its chemical evolution in the Milky Way is not well…

Finding Minimum Energy Configurations (MECs) is essential in fields such as physics, chemistry, and materials science, as they represent the most stable states of the systems. In particular, identifying such MECs in multi-component alloys…

The discovery of novel solid-state materials, such as electrocatalysts, super-ionic conductors, or photovoltaic materials, plays a critical role in addressing various global challenges. It has, for instance, the potential to significantly…

A deep understanding of our Galaxy desires detailed decomposition of its stellar populations via their chemical fingerprints. This requires precise stellar abundances of many elements for a large number of stars. Here we present an updated…

Earth system models (ESM) demand significant hardware resources and energy consumption to solve atmospheric chemistry processes. Recent studies have shown improved performance from running these models on GPU accelerators. Nonetheless,…

Phase equilibrium calculations are an essential part of numerical simulations of multi-component multi-phase flow in porous media, accounting for the largest share of the computational time. In this work, we introduce a GPUenabled, fast,…

This paper reports the development of TOUCANS, a new Monte Carlo neutron transport code fully written using the Geant4 toolkit. It aims at modeling complex systems easily and rapidly, thanks to a simple key-value input file. While its main…

This work presents a unified fluid modeling framework for reacting flows coupled with nonthermal plasmas (NTPs). Building upon the gas-plasma kinetics solver, ChemPlasKin, and the CFD library, OpenFOAM, the integrated solver, reactPlasFOAM,…

We present a stable finite element method for incompressible nonlinear elasticity based on a four-field mixed formulation involving the displacement, displacement gradient, first Piola--Kirchhoff stress and pressure. Unlike existing…

We introduce the FCHL19 representation for atomic environments in molecules or condensed-phase systems. Machine learning models based on FCHL19 are able to yield predictions of atomic forces and energies of query compounds with chemical…