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  • Informatické kolokvium 9.4. Interactive Visualization Techniques for Molecular Structures

    Informatické kolokvium 9. 4. 2019, 14:00 posluchárna D2
    Prof. Dr. rer. nat. habil. Timo Ropinski, Faculty of Engineering, Computer
    Science and Psychology, Ulm University
    Interactive Visualization Techniques for Molecular Structures
    Abstrakt: Within this talk I will cover our work in the area of molecular
    visualization, and will present techniques which have been developed with the
    goal to improve the spatial comprehension of complex molecular structures.
    First, coverage-based opacity estimation is discussed as a technique to achieve
    Depth of Field (DoF) effects when visualizing molecular structures. The proposed
    algorithm is an object-based approach which eliminates many of the shortcomings
    of state-of-the-art image-based DoF algorithms. Based on observations derived
    from a physically-correct reference renderer, coverage-based opacity estimation
    exploits semi-transparency to simulate the blur inherent to DoF effects. Second,
    I will discuss the integration of diffuse illumination effects into molecular
    visualization. While current molecular visualization techniques utilize ambient
    occlusion as a global illumination approximation in order to improve spatial
    comprehension, interreflections are also known to improve the spatial
    comprehension of complex geometric structures. To realize these interreflections
    in real-time, an analytic approach is exploited for capturing interreflections
    of molecular structures. By exploiting the knowledge of the underlying space
    filling representations, the required parameters can be reduced and symbolic
    regression can be applied to obtain an analytical expression for
    interreflections. I will discuss how to obtain the data required for the
    symbolic regression analysis, and how to exploit the analytic solution to
    enhance interactive molecular visualizations. Finally, I will show how this
    approach can be extended to other molecular representations.

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