Scientific Visualization and Analysis

• Team
  • Jeremy Meredith

We are pursuing several directions with our research related to scientific analysis and visualization. Brief summaries and examples are show below, and all technologies are being deployed through integration with VisIt. Click on thumbnails below for larger images.

Molecule Plot of crotamine, colored by element type, atoms shown with covalent radius, and no bonds.

Molecule plot of crotamine, colored by residue type, atoms proportional to covalent radius emulating the CPK style.

Molecule plot of crotamine, colored by a scalar quantity, no atoms shown, and bonds drawn as cylinders.

Molecule plot showing various features in VTK and VisIt: understanding of unit cell, transformed rectilinear meshes for accelerated support of unit cell basis grids, replication of unit cells to form supercell, replication of atoms at unit cell boundaries, on-demand creation of bonds.

First-class understanding of scalar enumerations, in this example showing atomic number as a collection of sets supporting single-click subsetting.

Plot of data from a VASP run, showing atoms and forces over time.

The Parallel Axis plot showing four variables, with the green multidimensional binning showing inter-variable correlations as a context, and red lines showing focus on outliers via real-time extents limiting.

Montage of parallel axis user interface and various plot settings, clockwise from upper left: all element values as lines, all element values as binned context with a high number of bins, all element values as binned context with a low number of bins, and all element values as binned context with a moderate number of bins overplotted with subselected individual element values as lines.

YBa2Cu3O7 converted from a file, imported to VisIt and exported and rendered with POV-Ray.

Rendering showing the origin of the colossal magneto-resistive effect.

Rendering showing structure of a Hubbard model calculation.

Crotamine imported into VisIt from PDB file, then exported and rendered with POV-Ray.

Rendering of an FePt nanoparticle showing enhanced rendering options directly within VisIt.

O. Rübel, Prabhat, H. Childs, J.S. Meredith et al., “High Performance Multivariate Visual Data Exploration for Extremely Large Data”, SuperComputing, 2008.

O. Rübel, Prabhat, K. Wu, H. Childs, J.S. Meredith et al., “Application of High-performance Visual Analysis Methods to Laser Wakefield Particle Acceleration Data” (poster), IEEE Visualization, 2008.

• Department of Energy, Office of Science
• National Center for Computational Sciences (NCCS)