@@ -3963,6 +3963,14 @@ \subsubsection{Method 2: Umbrella sampling}
39633963\subsection {Tutorial 8: Reactive Molecular Dynamics }
39643964\label {bond-react-label }
39653965
3966+ The goal of this tutorial is to create a model of a carbon nanotube (CNT) embedded
3967+ in a polymer melt made of polystyrene (PS) (Fig.~\ref {fig:REACT }). The
3968+ REACTER protocol is used to simulate the polymerization of styrene monomers, and the
3969+ polymerization reaction is followed in time \cite {gissinger2017polymer , gissinger2020reacter , gissinger2024molecular }.
3970+ In contrast with AIREBO (\hyperref [carbon-nanotube-label]{Tutorial 2})
3971+ and ReaxFF (\hyperref [reactive-silicon-dioxide-label]{Tutorial 5}), the REACTER
3972+ protocol relies on the use of a \textit {classical } force field.
3973+
39663974\begin {figure }
39673975\centering
39683976\includegraphics [width=0.7\linewidth ]{REACT.png}
@@ -3972,14 +3980,6 @@ \subsection{Tutorial 8: Reactive Molecular Dynamics}
39723980\label {fig:REACT }
39733981\end {figure }
39743982
3975- The goal of this tutorial is to create a model of a carbon nanotube (CNT) embedded
3976- in a polymer melt made of polystyrene (PS) (Fig.~\ref {fig:REACT }). The
3977- REACTER protocol is used to simulate the polymerization of styrene monomers, and the
3978- polymerization reaction is followed in time \cite {gissinger2017polymer , gissinger2020reacter , gissinger2024molecular }.
3979- In contrast with AIREBO (\hyperref [carbon-nanotube-label]{Tutorial 2})
3980- and ReaxFF (\hyperref [reactive-silicon-dioxide-label]{Tutorial 5}), the REACTER
3981- protocol relies on the use of a \textit {classical } force field.
3982-
39833983\subsubsection {Creating the system }
39843984
39853985To begin this tutorial, select \guicmd {Start Tutorial 8} from the
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