From: hackbard <hackbard>
Date: Tue, 20 Jun 2006 13:39:40 +0000 (+0000)
Subject: jetzt gehts los ...
X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=4774842a09e4f15ab187088ffce234f44a7a11c4;p=lectures%2Flatex.git

jetzt gehts los ...
---

diff --git a/posic/thesis/basics.tex b/posic/thesis/basics.tex
index c11a832..24bfc19 100644
--- a/posic/thesis/basics.tex
+++ b/posic/thesis/basics.tex
@@ -2,9 +2,9 @@
 
 \section{Molecular dynamics simulations}
 
-\subsection{Theory of melecular dynamics simulations}
+\subsection{Introduction to molecular dynamics simulations}
 
-Basically molecular dynamics (MD) simulation is a technique to compute a system of particles, referred to as molecules, that evolve in time.
+Basically, molecular dynamics (MD) simulation is a technique to compute a system of particles, referred to as molecules, evolving in time.
 The MD method was introduced by Alder and Wainwright in 1957 \cite{alder1,alder2} to study the interactions of hard spheres.
 The basis of the approach are Newton's equations of motion to describe classicaly the many-body system.
 MD simulation is the numerical way of solving the $N$-body problem ($N > 3$) which cannot be solved analytically.
@@ -23,7 +23,15 @@ The forces ${\bf F}_i$ are obtained from the potential energy $U(\{{\bf r}\})$:
 {\bf F}_i = - \nabla_{{\bf r}_i} U({\{\bf r}\}) \, \textrm{.}
 \end{equation}
 Given the initial conditions ${\bf r}_i(t_0)$ and $\dot{{\bf r}}_i(t_0)$ the equations can be integrated by a certain integration algorithm.
-The solution of these equations provides the complete information of a system 
+The solution of these equations provides the complete information of a system evolving in time.
+
+The following chapters cover the tools of the trade necessary for the MD simulation technique.
+First a detailed overview of the available integration algorithms is given, including their advantages and disadvantages.
+After that the interaction potentials and their accuracy for describing certain systems of elements are discussed.
+
+
+
+\subsection{Integration algorithms}
 
 \subsection{Interaction potentials}