Prof. Dr. Wolfgang Heiden
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The elucidation of conformations and relative potential energies (rPEs) of small molecules has a long history across a diverse range of fields. Periodically, it is helpful to revisit what conformations have been investigated and to provide a consistent theoretical framework for which clear comparisons can be made. In this paper, we compute the minima, first- and second-order saddle points, and torsion-coupled surfaces for methanol, ethanol, propan-2-ol, and propanol using consistent high-level MP2 and CCSD(T) methods. While for certain molecules more rigorous methods were employed, the CCSD(T)/aug-cc-pVTZ//MP2/aug-cc-pV5Z theory level was used throughout to provide relative energies of all minima and first-order saddle points. The rPE surfaces were uniformly computed at the CCSD(T)/aug-cc-pVTZ//MP2/aug-cc-pVTZ level. To the best of our knowledge, this represents the most extensive study for alcohols of this kind, revealing some new aspects. Especially for propanol, we report several new conformations that were previously not investigated. Moreover, two metrics are included in our analysis that quantify how the selected surfaces are similar to one another and hence improve our understanding of the relationship between these alcohols.
The work being described in this paper is the result of a cooperation project between the Institute of Visual Computing at the Bonn-Rhein-Sieg University of Applied Sciences, Germany and the Laboratory of Biomedical Engineering at the Federal University of Uberlândia, Brazil. The aim of the project is the development of a virtual environment based training simulator which enables for better and faster learning the control of upper limb prostheses. The focus of the paper is the description of the technical setup since learning tutorials still need to be developed as well as a comprehensive evaluation still needs to be carried out.
The Virtual Memory Palace
(2006)
The intention of the Virtual Memory Palace is to help people memorize information by addressing their visual memory. The concept is based on the “Memory Palace” as an ancient Greek memorization technique, where symbols are placed in a certain way within an imaginative building in order to remember the original information whenever the mind goes through the vision of this building again. The goal of this work was to create such a Memory Palace in a virtual environment, so it requires less creative effort of the contemporary learner than was necessary in ancient Greece. The Virtual Memory Palace offers the possibility to freely explore a virtual 3d architectural model and to place icons at various locations within this model. Specific behaviors were assigned to these locations to make them more memorable. To test the benefit of this concept, an experiment with 15 subjects was conducted. The results show a higher remembrance rate of items learned in the Virtual Memory Palace compared to a wordlist. The observations made during the test showed that most of the subjects enjoyed the memorization environment and were astonished how well the Virtual Memory Palace worked for them.
The objective of the presented approach is to develop a 3D-reconstruction method for micro organisms from sequences of microscopic images by varying the level-of-focus. The approach is limited to translucent silicatebased marine and freshwater organisms (e.g. radiolarians). The proposed 3D-reconstruction method exploits the connectivity of similarly oriented and spatially adjacent edge elements in consecutive image layers. This yields a 3D-mesh representing the global shape of the objects together with details of the inner structure. Possible applications can be found in comparative morphology or hydrobiology, where e.g. deficiencies in growth and structure during incubation in toxic water or gravity effects on metabolism have to be determined.
This paper describes adaptive time frequency analysis of EEG signals, both in theory as well as in practice. A momentary frequency estimation algorithm is discussed and applied to EEG time series of test persons performing a concentration experiment. The motivation for deriving and implementing a time frequency estimator is the assumption that an emotional change implies a transient in the measured EEG time series, which again are superimposed by biological white noise as well as artifacts. It will be shown how accurately and robustly the estimator detects the transient even under such complicated conditions.
Simultaneous detection of cyanide and heavy metals for environmental analysis by means of µISEs
(2010)
In this paper, we describe an approach to academic teaching in computer science using storytelling as a means to investigate to hypermedia and virtual reality topics. Indications are shown that narrative activity within the context of a Hypermedia Novel related to educational content can enhance motivation for self-conducted learning and in parallel lead to an edutainment system of its own. In contrast to existing approaches the Hypermedia Novel environment allows an iterative approach to the narrative content, thereby integrating story authoring and story reception not only in the beginning but at any time. The narrative practice and background research as well as the resulting product can supplement lecture material with comparable success to traditional academic teaching approaches. On top of this there is the added value of soft skill training and a gain of expert knowledge in areas of personal background research.
The objective of the FIVIS project is to develop a bicycle simulator which is able to simulate real life bicycle ride situations as a virtual scenario within an immersive environment. A sample test bicycle is mounted on a motion platform to enable a close to reality simulation of turns and balance situations. The visual field of the bike rider is enveloped within a multi-screen visualisation environment which provides visual data relative to the motion and activity of the test bicycle. That means the bike rider has to pedal and steer the bicycle as a usual bicycle, while the motion is recorded and processed to control the simulation. Furthermore, the platform is fed with real forces and accelerations that have been logged by a mobile data acquisition system during real bicycle test drives. Thus, using a feedback system makes the movements of the platform match to the virtual environment and the reaction of the driver (e.g. steering angle, step rate).
"Visual Computing" (VC) fasst als hochgradig aktuelles Forschungsgebiet verschiedene Bereiche der Informatik zusammen, denen gemeinsam ist, dass sie sich mit der Erzeugung und Auswertung visueller Signale befassen. Im Fachbereich Informatik der FH Bonn-Rhein-Sieg nimmt dieser Aspekt eine zentrale Rolle in Lehre und Forschung innerhalb des Studienschwerpunktes Medieninformatik ein. Drei wesentliche Bereiche des VC werden besonders in diversen Lehreinheiten und verschiedenen Projekten vermittelt: Computergrafik, Bildverarbeitung und Hypermedia-Anwendungen. Die Aktivitäten in diesen drei Bereichen fließen zusammen im Kontext immersiver virtueller Visualisierungsumgebungen.
The objective of the FIVIS project is to develop a bicycle simulator which is able to simulate real life bicycle ride situations as a virtual scenario within an immersive environment. A sample test bicycle is mounted on a motion platform to enable a close to reality simulation of turns and balance situations. The visual field of the bike rider is enveloped within a multi-screen visualization environment which provides visual data relative to the motion and activity of the test bicycle. This implies the bike rider has to pedal and steer the bicycle as they would a traditional bicycle, while forward motion is recorded and processed to control the visualization. Furthermore, the platform is fed with real forces and accelerations that have been logged by a mobile data acquisition system during real bicycle test drives. Thus, using a feedback system makes the movements of the platform reflect the virtual environment and the reaction of the driver (e.g. steering angle, step rate).
GL-Wrapper for Stereoscopic Rendering of Standard Applications for a PC-based Immersive Environment
(2007)
In this paper, we describe an approach to academic teaching in computer science using storytelling as a means for background research to hypermedia and virtual reality topics. It is shown that narrative activity within the context of a Hypermedia Novel related to educational content can enhance motivation for self-conducted learning and in parallel lead to an edutainment system of its own. The narrative practice and background research as well as the resulting product can supplement lecture material with comparable success to traditional academic teaching approaches.