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Institute
Molecular dynamics (MD) as a field of molecular modelling has great potential to revolutionize our knowledge and understanding of complex macromolecular structures. Its field of application is huge, reaching from computational chemistry and biology over material sciences to computer-aided drug design. This thesis on one hand provides insights into the underlying physical concepts of molecular dynamics simulations and how they are applied in the MD algorithm, and also briefly illustrates different approaches, as for instance the molecular mechanics and molecular quantum mechanics approaches.
On the other hand an own all-atom MD algorithm is implemented utilizing and simplifying a version of the molecular mechanics based AMBER force field published by \big[\cite{cornell1995second}\big]. This simulation algorithm is then used to show by the example of oxytocin how individual energy terms of a force field function. As a result it has been observed, that applying the bond stretch forces alone caused the molecule to be compacted first in certain regions and then as a whole, and that with adding more energy terms the molecule got to move with increasing flexibility.
The present thesis covers the implementation and optimization of global illumination in three-dimensional scenes. Global illumination does not only consider direct illumination dependent on one or more light sources, but also indirect illumination which is emitted by surrounding objects in the scene. The thesis focuses on the implementation of a global illumination method and its improvement using OpenGL 4.4. This is done by a voxelization of the scene. By traversing the resulting voxel structure, additional information is taken from the scene, which contributes to a plausible global illumination.
Ist es möglich, allein mittels VR-Headset bei Nutzern Immersion zu
erzeugen? Zur Beantwortung dieser Frage werden zwei Simulationen einer
Achterbahnfahrt ohne haptisches Feedback mittels der Unreal Engine
4.20.3 für ein HTC-Vive VR Headset entwickelt und implementiert. Die
zweite Simulation unterscheidet sich von der ersten durch die Darbietung
außergewöhnlicher Ereignisse während der Fahrt, für die vermutet wird,
dass sie das Immersionserleben verstärken. Elf Probanden nahmen an der
Untersuchung teil. Die Auswertung eines Fragebogens zur Erfassung der
Intensität der Immersion und der Antworten auf offenen Fragen zeigt, dass
Immersion in beiden Simulation erfolgreich erzeugt werden konnte. Manche
Merkmale der Simulation vertieften bei einzelnen Probanden das immersive
Erleben, bei anderen dagegen nicht. Die Bedeutung der Ergebnisse
und Optimierungsmöglichkeiten für künftige Studien werden diskutiert.
The following bachelor thesis gives an overview of various approaches and techniques for procedural generation of three-dimensional city models. Especially the usage of generative grammars is being examined and later used for the implementation of an own application. Its focus was the embedding of predetermined primary street networks as well as the procedural generation of secondary street networks and different kinds of buildings. The application allows the efficient creation of extensive and variably structured city models. However, there are restrictions regarding the realism and variation of the results.
How does gameplay influence the fun in video games? This article will search for an answer to this question by using a self-made video game created from scratch. This video game will be programmed in two versions with differences only in gameplay. Several test persons are then to play this game. A survey will be answered afterwards. In order to gain values that are merely influenced by gameplay changes, thoughts on the game design and conception were made. Results suggest that gameplay has a big impact on fun in video games. But gameplay isn't the only responsible factor that makes a video game amusing. Psychological aspects are present when the gameplay of a video game changes.
In order to simulate realistic motion sequences, muscles must be able to be modelled anatomically correct. Yet it is only possible in SimPack to define muscles as a straight line between two points. This thesis presents an approach where ellipses can be defined through which a muscle must pass. The main problem is to calculate the length of this muscle through the ellipses. An algorithm is presented that calculates the shortest path of a muscle path through this ellipses. This algorithm is then implemented in Fortran 90 and integrated into an existing muscle model in SimPack.
The present work introduces a rigid-body physics engine, focusing on the collision detection by GPU. The increasing performance and accessibility of modern graphics cards ensures that they can be also used for algorithms that are meant not only for imaging. This advantage is used to implement an efficient collision detection based on particles. The performance differences between CPU and GPU are presented by using a test environment.
Diese Arbeit beschreibt den Entwurf und die Umsetzung einer prototypischen Android-Applikation zum Dokumentieren von Reiserouten. Nach einer kurzen Einführung in die grundlegenden Aspekte des Reisens, der notwendigen Hilfsmittel sowie das Betriebssystem Android wird das Konzept und die Anforderungen an die Anwendung vorgestellt. Anschließend werden die Realisierung der Implementierung erläutert und die Ergebnisse der Evaluation offengelegt.
Im Bereich der Computergraphik bilden die Nicht-Photorealistischen Renderingverfahren einen Schwerpunkt in der technischen und wissenschaftlichen Visualisierung, vor allem aber in den künstlerischen Bereichen. Verschiedene Kunststile, sowie Zeichenmaterialien und ihre Eigenschaften stellen unterschiedliche Herausforderungen dar. Eine dieser Herausforderungen ist hierbei die Simulation flüssiger Zeichenmittel.
Diese Arbeit beschäftigt sich mit der Erstellung eines interaktiven Zeichensystems für ein flüssiges Zeichenmittel, der Aquarellmalerei. Für die Simulation wird eine raue Zeichengrundlage generiert, sowie die Fluid Simulation und das optische Farbverhalten der Aquarellmalerei implementiert.
The animation of models has become an important part in different areas of everyday life. It is a demanding task for computer graphics to generate
a natural deformation of organic models. Skinning is a common method to animate models without animating each vertex individually. The skin of the model deforms automatically by manipulating individual bones of a skeleton.
This bachelor thesis deals with the most common algorithm, linear blend skinning and aims to find some optimizations regarding the visual effect
and performance. Additionally it presents certain instancing methods which are combined with the skinning methods in the application to show the advantages and disadvantages of the latter.
Global-Illumination is an important part of the rendering of realistic images. However, the computational complexity of an accurate simulation of these effects is too high for the use in real time applications. In this paper Light-Propagation-Volumes, Screen-Space-Reflections and multiple variants of Screen-Space-Ambient-Occlusion are investigated as a solution for real time rendering. It is shown that they are fast enough for the use in real time applications. The various techniques approximate only a few aspects of the light transport, but complement each other.
In this bachelor thesis a tangible augmented reality game was developed, which should have a additional benefit compared to conventional computer or augmented reality games. The main part of the thesis explains the game concept, the development and the evaluation of the game. In the evaluation the flow-experience, as measurement for the games" amusement, was analysed with a user test and the developed game was compared with other smartphone games. Also augmented reality, tangible user interface and tangible augmented reality was introduced and the advantages and disadvantages was explained. The history of augmented reality was introduced too.
In no field of computer science has the hardware developed as rapidly as in the field of computer graphics. Today, we can display complex, geometric scenes in real time in immersive systems and also integrate elaborate simulations.
The aim of this work is to realize the simulation of paint splashes in a virtual world. For this purpose, an application will be implemented with the help of Unity, that uses three different techniques to color the environment with the help of paint splashes. Based on this application, the limits and possibilities of the techniques in virtual environments are examined more closely.
This examination shows that an inverse projection produces the best results.
Bildsynthese durch Raytracing gewinnt durch Hardware-Unterstützung in Verbraucher-Grafikkarten eine immer größer werdende Relevanz. Der Linespace dient dabei als eine neue, vielversprechende Beschleunigungsstruktur. Durch seine richtungsbasierte Natur ist es sinnvoll, ihn in andere Datenstrukturen zu integrieren. Bisher wurde er in ein Uniform-Grid integriert. Problematisch werden einheitlich große Voxel allerdings bei Szenen mit variierbarem Detailgrad. Diese Arbeit führt den adaptiven Linespace ein, eine Kombination aus Octree und Linespace. Die Struktur wird hinsichtlich ihrer Beschleunigungsfähigkeit untersucht und mit dem bisherigen Grid-Ansatz verglichen. Es wird gezeigt, dass der adaptive Linespace für hohe Grid-Auflösungen besser skaliert, durch eine ineffiziente GPU-Nutzung allerdings keine optimalen Werte erzielt.