Fast Visualization of Gaussian Density Surfaces for Molecular Dynamics and Particle System Trajectories

dc.contributor.authorKrone, Michaelen_US
dc.contributor.authorStone, Johnen_US
dc.contributor.authorErtl, Thomasen_US
dc.contributor.authorSchulten, Klausen_US
dc.contributor.editorMiriah Meyer and Tino Weinkaufsen_US
dc.date.accessioned2013-11-08T10:22:34Z
dc.date.available2013-11-08T10:22:34Z
dc.date.issued2012en_US
dc.description.abstractWe present an efficient algorithm for computation of surface representations enabling interactive visualization of large dynamic particle data sets. Our method is based on a GPU-accelerated data-parallel algorithm for computing a volumetric density map from Gaussian weighted particles. The algorithm extracts an isovalue surface from the computed density map, using fast GPU-accelerated Marching Cubes. This approach enables interactive frame rates for molecular dynamics simulations consisting of millions of atoms. The user can interactively adjust the display of structural detail on a continuous scale, ranging from atomic detail for in-depth analysis, to reduced detail visual representations suitable for viewing the overall architecture of molecular complexes. The extracted surface is useful for interactive visualization, and provides a basis for structure analysis methods.en_US
dc.description.seriesinformationEuroVis - Short Papersen_US
dc.identifier.isbn978-3-905673-91-3en_US
dc.identifier.urihttps://doi.org/10.2312/PE/EuroVisShort/EuroVisShort2012/067-071en_US
dc.publisherThe Eurographics Associationen_US
dc.subjectCategories and Subject Descriptors (according to ACM CCS): I.3.5 [Computer Graphics]: Computational Geometry and Object Modeling-Boundary representationsen_US
dc.titleFast Visualization of Gaussian Density Surfaces for Molecular Dynamics and Particle System Trajectoriesen_US
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