Neugebauer, Philip
Supervisor:Prof. Gudrun Klinker
Advisor:Dyrda, Daniel (@ga67gub)
Submission Date:[created]


This thesis covers the design and implementation of a virtual reality (VR) application. This application allows to interact with dynamic molecular structures in realtime. A critical step in the design of new materials is to understand and visualize their complex 3D atomic structure and their underlying dynamics. The conventional approach - visualization on a 2D display and control via computer mouse - provides only limited insights. VR promises a new level of visualization and control. However, there is a lack of systematic studies on a suitable and intuitive user interface (UI) for dynamic molecular structures. Therefore, this thesis critically assesses some of the few existing VR applications related to visualizing molecular structures as well as concepts of modern UI design. Based on this assessment, a VR application has been written that allows to visualize and interactively control molecular structures and to test various UI concepts. The implemented application features using hands as well as controllers. The usability of the UI concepts has been evaluated by five persons. An outcome of this evaluation is that all test persons prefer using controllers, because controllers can be tracked more precise by the headset. However, they also state that they like the concept of using their hands. If hand tracking becomes more stable and precise in the future, using hands will likely become the option of choice for controlling atomistic structures in VR.

Results/Implementation/Project Description


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