\documentclass[a4paper,11pt]{article} \usepackage[latin1]{inputenc} \usepackage{amsmath} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{graphicx} \usepackage{epsfig} \usepackage{setspace} \bibliographystyle{prsty} \title{Rare events in non-equilibrium processes and chemical reactions} \author{Harald Oberhofer} \begin{document} \pagenumbering{roman} \input{src/title.tex} % \cleardoublepage % \input{src/acknowl.tex} % \cleardoublepage % \input{src/abstracts.tex} \cleardoublepage \tableofcontents \listoffigures \listoftables \newpage \cleardoublepage \pagenumbering{arabic} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \part{Rare events in non-equilibrium free energy calculations} \label{part:jarzynski} \section{Free energy} \label{sec:freeenergy} \section{Conventional free energy calculations} \label{sec:convfencalc} \section{Jarzynski's non-equilibrium work theorem} \label{sec:jarzynski} \input{src/jarzynski} \subsection{Large timestep formalism} \label{ssec:largetime} \subsection{Hummer and Szabo's free energy profile method} \label{ssec:hummerszabo} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \part{Rare events in chemical response function calculations} \label{part:spectroscopy} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \newpage \appendix % \pagenumbering{alph} % \bibliography{src/bibliography} \end{document}