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Context: Polycyclic Aromatic Hydrocarbons, largely known as PAHs, are widespread in the universe and have been identified in a vast array of astronomical observations from the interstellar medium to protoplanetary discs. They are likely to…
Monitoring the abundance of greenhouse gases (GHGs) such as carbon dioxide (CO$_2$) and methane (CH$_4$) is necessary to quantify their impact on global warming and climate change. Although a number of satellites and ground-based networks…
We introduce the PRISM interstellar medium (ISM) model for thermochemistry and its implementation in the RAMSES-RTZ code. The model includes a non-equilibrium primordial, metal, and molecular chemistry network for 115 species coupled to…
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…
The development of molecular complexity during stellar and planetary formation owes much to the interaction of gas and dust. When the first astrochemical models including solid-state chemistry were developed more than forty years ago, data…
The spontaneous genesis of hydrocarbons which comprise natural petroleum have been analyzed by chemical thermodynamic stability theory. The constraints imposed upon chemical evolution by the second law of thermodynamics are briefly…
Numerous metallurgical and materials science applications depend on quantitative atomic-scale characterizations of environmentally-sensitive materials and their transient states. Studying the effect upon materials subjected to…
We present a neural-network emulator for the thermal and chemical evolution in Population III star formation. The emulator accurately reproduces the thermochemical evolution over a wide density range spanning 21 orders of magnitude…
Chemical disequilibrium quantified via available free energy has previously been proposed as a potential biosignature. However, exoplanet biosignature remote sensing work has not yet investigated how observational uncertainties impact the…
Some super Earths and mini Neptunes will likely have thick atmospheres that are not H2-dominated. We have developed a photochemistry-thermochemistry kinetic-transport model for exploring the compositions of thick atmospheres on super Earths…
Fastlim is a tool to calculate conservative limits on extensions of the Standard Model from direct LHC searches without performing any Monte Carlo event generation. The program reconstructs the visible cross sections from pre-calculated…
The detection of organic molecules with increasing complexity and potential biological relevance is opening the possibility to understand the formation of the building blocks of life in the interstellar medium. One of the families of…
Gas-phase processes were long thought to be the key formation mechanisms for complex organic molecules in star-forming regions. However, recent experimental and theoretical evidence has cast doubt on the efficiency of such processes.…
This work introduces ChemPlasKin, a freely accessible solver optimized for zero-dimensional (0D) simulations of chemical kinetics of neutral gas in non-equilibrium plasma environments. By integrating the electron Boltzmann equation solver,…
An end-to-end platform for chemical science research has been developed that integrates data from computational and experimental approaches through a modern web-based interface. The platform offers a highly interactive visualization and…
We present an open-source retrieval code named HELIOS-Retrieval (hereafter HELIOS-R), designed to obtain chemical abundances and temperature-pressure profiles from inverting the measured spectra of exoplanetary atmospheres. In the current…
The atmospheres of synchronously rotating exoplanets are intrinsically three-dimensional, and fast vertical and horizontal winds are expected to mix the atmosphere, driving the chemical composition out of equilibrium. Due to the longer…
Chemical modelling serves two purposes in dynamical models: accounting for the effect of microphysics on the dynamics and providing observable signatures. Ideally, the former must be done as part of the hydrodynamic simulation but this…
We present materials informatics approach to search for superconducting hydrogen compounds, which is based on a genetic algorithm and a genetic programming. This method consists of four stages: (i) search for stable crystal structures of…
We demonstrate the effectiveness of the Exoplanet Characterisation Observatory mission concept for constraining the atmospheric properties of hot and warm gas giants and super Earths. Synthetic primary and secondary transit spectra for a…