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%% Sample TeX file for the HRMS Dijon 2023 abstracts
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\documentclass[11pt]{article}

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

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\title{THEORETICAL TOOLS FOR MOLECULAR DISCOVERY IN THE LABORATORY AND SPACE}

%% Note that \author and \address macros must be paired.
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\author{\underline{\FirstName P. B. \LastName CHANGALA}}
\address{Center for Astrophysics $\vert$ Harvard \& Smithsonian, Cambridge, MA 02138, USA}

%% The \FirstName and \LastName macros are mandatory for each author
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%\author{\underline{\FirstName G. \LastName HHHHH-IIIIIII Jr},
%  \FirstName J. \LastName KKKKKKKKKK,
%  \underline{\FirstName L. \LastName MM NN PPPPPP}}
%\address{Address of the institution for the second author(s)}

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%% 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

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\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
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%% Place the body of your abstract below.

First-principles calculations of the rovibronic structure, spectra, and properties of polyatomic molecules often resist a ``one-size-fits-all'' approach, reflected by the wide variety of theoretical tools available for these problems. A common trait shared by many of these methods is the need for efficient and accurate derivatives (occasionally to high order) of multivariate quantities with complex functional forms including potential energy surfaces, curvilinear coordinate systems, frame embeddings, and basis functions. This talk will outline the use of automatic differentiation techniques to simplify the design and implementation of versatile rovibrational methods with a particular focus on generating predictions and insights for high-resolution microwave and optical spectroscopy of small molecules. The application of these and other tools will be highlighted with several recent results from our group, including the laboratory and astronomical discovery of new metal-bearing dicarbides, the structure and electronic properties of laser-coolable polyatomic molecules, and the hyperfine-resolved microwave spectroscopy of reactive, open-shell hydrocarbons.

\end{document}
