Related papers: FastChem 2: An improved computer program to determ…
We present a comprehensive photochemistry model for exploration of the chemical composition of terrestrial exoplanet atmospheres. The photochemistry model is designed from the ground up to have the capacity to treat all types of terrestrial…
This paper introduces a new platform to accelerate the modeling of complex aerothermochemical interactions in new turbomachines, turbo-reactors, to decarbonise chemical processes. While previous work has aerothermally demonstrated the…
A key challenge in modeling (exo)planetary atmospheres lies in generating extensive opacity datasets that cover the wide variety of possible atmospheric composition, pressure, and temperature conditions. This critical step requires specific…
SparseChem provides fast and accurate machine learning models for biochemical applications. Especially, the package supports very high-dimensional sparse inputs, e.g., millions of features and millions of compounds. It is possible to train…
The chemistry of H2O, CO and other small molecular species in an isolated pre-stellar core, L1544, has been assessed in the context of a comprehensive gas-grain chemical model, coupled to an empirically constrained physical/dynamical model.…
Chemical models are routinely used to predict the atmospheric composition of exoplanets and compare it with the composition retrieved from observations, but little is known about the reliability of the calculated composition. We carried out…
We introduce ECCOplanets, an open-source Python code that simulates condensation in the protoplanetary disk. Our aim is to analyse how well a simplistic model can reproduce the main characteristics of rocky planet formation. For this…
Recent infrared spectroscopy of hot exoplanets is beginning to reveal their atmospheric composition. Deep with in the planetary atmosphere, the composition is controlled by thermochemical equilibrium. Photochemistry becomes important higher…
Almost all planetary atmospheres are affected by disequilibrium chemical processes. In this paper we introduce our recently developed Chemical Kinetic Model (\texttt{ChemKM}). We show that the results of our HD189733b model are in good…
To date, over 500 short-period rocky planets with equilibrium temperatures above 1500 K have been discovered. Such planets are expected to support magma oceans, providing a direct interface between the interior and the atmosphere. This…
We have developed a quick and accurate numerical tool to compute gas cooling whichever its chemical composition.
Computation of a grid of self consistent 1D model atmospheres of cool stars, sub-stellar objects and exoplanets in the effective temperature range 300K to 3000K, including cloud formation, chemical non-equilibrium effects, and stellar…
The atmospheres of ultra-hot Jupiters are commonly considered to be at thermochemical equilibrium. We aim to provide disequilibrium chemistry maps for a global understanding of the chemistry in HAT-P-7b's atmosphere and assess the…
We present and test chemical models for three-dimensional hydrodynamical simulations of galaxies. We explore the effect of changing key parameters such as metallicity, radiation and non-equilibrium versus equilibrium metal cooling…
FESTIM is an open-source finite element framework for modelling the transport of hydrogen isotopes in materials. It provides a flexible and extensible tool for simulating diffusion, trapping, surface interactions, and other processes that…
We introduce FastPM, a highly-scalable approximated particle mesh N-body solver, which implements the particle mesh (PM) scheme enforcing correct linear displacement (1LPT) evolution via modified kick and drift factors. Employing a…
This paper introduces ChemGen, a software package that uses code generation to integrate multispecies thermodynamics and chemical kinetics into C+-based computational physics codes. ChemGen aims to make chemical kinetics more accessible in…
Chemical compositions of exoplanets can provide key insights into their physical processes, and formation and evolutionary histories. Atmospheric spectroscopy provides a direct avenue to probe exoplanetary compositions. However, whether…
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,…
Radiative cooling is an important ingredient in hydrodynamical models involving evolution of high temperature plasmas. Unfortunately, calculating an accurate cooling coefficient generally requires the solution of over a hundred differential…