%%
%% Sample TeX file for the HRMS Dijon 2023 abstracts
%% 
%% Lines (or parts of) beginning with at least one '%' are comments 
%% and are silently ignored by LaTeX
%%
%% Codings beginning with \ are LaTeX macros, or commands.
%% They are used to tell the LaTeX parser how to format the document.
%% All the macros below are mandatory.
%%
%% Various informations about latex may be found at
%%
%%   http://en.wikibooks.org/wiki/LaTeX
%%
%% *-----------------------------------------------------------------------------------------*
\documentclass[11pt]{article}

\usepackage{hrms}  %% Page settings, style ... for the HRMS abstract book.
\usepackage{scrextend}
%% *-----------------------------------------------------------------------------------------*




\title{USING MACHINE LEARNING TO MEET THE NEED FOR PRESSURE-BROADENING DATA IN EXOPLANETARY ATMOSPHERIC STUDIES}

%% Note that \author and \address macros must be paired.
%% The names of authors must also appear IN CAPITALS.
%% The name(s) of author(s) presenting the work is(are) usually underlined.

\author{\underline{\FirstName E. R. \LastName GUEST},
  \FirstName J. \LastName TENNYSON,
  \FirstName S. N. \LastName YURCHENKO} 
\address{Department of Physics and Astronomy, University College London, Gower Street, WC1E 6BT London, UK}

%% The \FirstName and \LastName macros are mandatory for each author
%% to make sure that the author index is properly auto-generated.
%% Otherwise, these macros do nothing in particular.

%% Add or remove \author and \address pair(s) below to suite your needs
\author{\FirstName J. \LastName BULDYREVA}
\address{Institut UTINAM, UMR CNRS 6213, Universit\'e de Franche-Comt\'e, 16 Route de Gray, 25030 Besan\c{c}on cedex, France}

%% *-----------------------------------------------------------------------------------------*

%% Place below other \usepackage{ ... }, if you need other packages.
%% See http://www.tug.org/texlive/doc.html for a description of available packages.

%% The macros below will change the page head and foot.
%% Please, do not modify the content of the \fancyhead macro nor the \fancyfoot line.
\usepackage{fancyhdr}
\pagestyle{fancy}
\fancyhead[C]{{\footnotesize \textit{HRMS, 28th Colloquium, Dijon, France,
  Aug. 28 - Sept. 1, 2023}}}
\fancyfoot[C]{}
\renewcommand{\headrulewidth}{0.6pt}
\renewcommand{\footrulewidth}{0.6pt}

%% The hyperref package allows to include hyperlinks in a document.
%% See the instructions for abstract submission for more details.
%% WARNING: Make sure that this package comes LAST since it re-defines many LaTeX macros.
\usepackage[colorlinks=true,urlcolor=blue,linkcolor=blue,citecolor=blue]{hyperref}
\voffset -.65 cm

%% *-----------------------------------------------------------------------------------------*

\category {1}
\begin{document}

\maketitle  %% This will also build the list of author(s) and addresse(s).

%% Index macro(s): see the abstract samples and the instructions
%% Remove the %% to account for the index item(s)
%% \index{Item1}
%% \index{Item2}

%% Place the body of your abstract below.



The rapid growth of exoplanetary science has highlighted the need for large volumes of spectroscopic data.  
Simulations have demonstrated that dealing correctly with line broadening is crucial for understanding exoplanetary atmospheres\footnote{\href{https://doi.org/10.48550/arXiv.1905.07064}{J.J. Fortney, T.D. Robinson, S. Domagal-Goldman et al.}, arXiv:1905.07064, (2019)}.  
The wide variety of atmospheres observed indicate that a wide variety of both active molecules and collision partners must be modelled.  
This work aims to fill this need.  
The HITRAN database\footnote{\href{https://doi.org/10.1016/j.jqsrt.2021.107949}{I.E. Gordon, L.S. Rothman, R.J. Hargreaves, R. Hashemi et al.}, {\em J. Quant. Spectrosc. Radiat. Transf.}, \textbf{277}, 107949, (2022)} provides pressure-broadening parameters for all of its molecules.  
By comparison, the ExoMol database\footnote{\href{https://doi.org/10.1016/j.jqsrt.2020.107228}{J. Tennyson, Sergei N. Yurchenko, Ahmed F. Al-Refaie et al.}, {\em J. Quant. Spectrosc. Radiat. Transf.}, \textbf{255}, 107228, (2020)} currently only contains a very rudimentary treatment of line broadening\footnote{\label{Barton}\href{https://doi.org/10.1016/j.jqsrt.2017.01.028}{E.J. Barton, C. Hill, M. Czurylo et al.}, {\em J. Quant. Spectrosc. Radiat. Transf.}, \textbf{203}, Pages 490-495, (2017)}, which urgently needs improving.  
The database contains many exotic species important on exoplanets, not covered by HITRAN.  
The molecules of interest form under unusual conditions and are difficult to study empirically. 
Pressure broadening is also computationally demanding for ab initio methods, where there are frequently no potential-energy surfaces available.  
Our solution is to use machine learning to provide  {\it rotationally-dependent} estimates of line broadening parameters.  
This study collects HITRAN's line broadening data and trials various machine learning tools to extrapolate pressure-broadening parameters to new species; developing a method of automatic, large-scale production of missing data.  
To get an idea of the validity of our generated line broadening parameters, we compare them to rough semi-classical estimates containing no rotational dependence, that are easily computable for exotic molecular pairs. 
Our new calculated results will be used to update the ExoMol pressure-broadening diet\footref{Barton}  and populate the database.

\end{document}
