Publikationen

Real-Time Molecular Visualization Supporting Diffuse Interreflections and Ambient Occlusion

Real-Time Molecular Visualization Supporting Diffuse Interreflections and Ambient Occlusion

Robin Skanberg Ulm University Pere-Pau Vázquez Universitat Politècnica de Catalunya Victor Guallar Universitat Politècnica de Catalunya Timo Ropinski Ulm University

IEEE Transactions on Visualization and Computer Graphics (Proc. of IEEE Vizualisation and Visual Analytics 2016), 2016

Abstract

Today molecular simulations produce complex data sets capturing the interactions of molecules in detail. Due to the complexity of this time-varying data, advanced visualization techniques are required to support its visual analysis. Current molecular visualization techniques utilize ambient occlusion as a global illumination approximation to improve spatial comprehension. Besides these shadow-like effects, interreflections are also known to improve the spatial comprehension of complex geometric structures. Unfortunately, the inherent computational complexity of interreflections would forbid interactive exploration, which is mandatory in many scenarios dealing with static and time-varying data. In this paper, we introduce a novel analytic approach for capturing interreflections of molecular structures in real-time. By exploiting the knowledge of the underlying space filling representations, we are able to reduce the required parameters and can thus apply symbolic regression to obtain an analytic expression for interreflections. We show how to obtain the data required for the symbolic regression analysis, and how to exploit our analytic solution to enhance interactive molecular visualizations.

Bibtex

content_copy
@article{skanberg16molecularvis,
	title={Real-Time Molecular Visualization Supporting Diffuse Interreflections and Ambient Occlusion},
	author={Skanberg, Robin and V{\'a}zquez, Pere-Pau and Guallar, Victor and Ropinski, Timo},
	year={2016},
	month={1},
	journal={IEEE Transactions on Visualization and Computer Graphics (Proc. of IEEE Vizualisation and Visual Analytics (2016))},
	volume={22},
	pages={718-727},
	issue={1},
	doi={10.1109/TVCG.2015.2467293},
}

Figures

Illustration, Skanberg 2015
Figure 1: Molecular structure.