Machine learning (ML) techniques applied to chemical reactions have a long history. The
present contribution discusses applications ranging from small molecule reaction dynamics …

The past decade has witnessed an increasing interaction between experiment and theory in
the field of molecular spectroscopy. On the computational side, ongoing developments of …

The HITRAN database is a compilation of molecular spectroscopic parameters. It was
established in the early 1970s and is used by various computer codes to predict and …

The ExoMol database (www. exomol. com) provides molecular data for spectroscopic
studies of hot atmospheres. These data are widely used to model atmospheres of …

The ExoMol database (www. exomol. com) provides extensive line lists of molecular
transitions which are valid over extended temperature ranges. The status of the current …

Accurate line lists are crucial for correctly modelling a variety of astrophysical phenomena,
including stellar photospheres and the atmospheres of extrasolar planets. This paper …

EXOCROSS is a Fortran code for generating spectra (emission, absorption) and
thermodynamic properties (partition function, specific heat, etc.) from molecular line lists …

The simulation of astronomical spectra of cool stars, brown dwarfs and exoplanets requires
high resolution line lists and absorption cross sections of many molecules. Similar data sets …

In this tutorial review, we present some effective methodologies available for the simulation
of vibrational and vibrationally resolved electronic spectra of medium‐to‐large molecules …

Vibrational spectroscopy represents an active frontier for the identification and
characterization of molecular species in the context of astrochemistry and astrobiology. As …