Chemistry | Materials » Aaron Knoll - Material and Chemistry, Vis and Applications

Source: http://www.doksinet Material and chemistry – vis and applications AaronKnoll SCIIns9tute,UniversityofUtah Source: http://www.doksinet Materials and chemistry ! Energy research is a core mission at ANL " " ! A different set of tools than “general vis” " ! Battery, photovoltaics, biofuels, catalysis Not always the largest science, but a large number of jobs VMD, Avogadro, Vesta, PyMol, Chimera, Materials Studio Larger materials data can be a challenge " " Volume rendering and analysis “Direct” visualization MariaChan,CenterforNanoscaleMaterials KCLau,MaterialsScienceDivision JuliusJellinek,Chemical ScienceandEngineering 18 Source: http://www.doksinet Interaction and immersive environments ! CAVE2 at Electronics Visualization Lab, University of Illinois Chicago Redaetal.LDAV2013 ! Streaming a 1 Gigapixel image to Stallion at TACC Knolletal.Ultravis2013 19 Source: http://www.doksinet Direct RBF volume rendering ! ! No

filters, lower memory footprint Visualization on CPU or Xeon Phi Knolletal.Eurovis2014 20 Source: http://www.doksinet Analysis Findingbondsfrommul9fieldmolecularorbitaldata JointContourNet(Dukeetal.IEEEVis2012) Modelingiondiffusion MorseSmaleComplex(Gyulassyetal.Vis12) distribution 4.5 0 4 average min min bondline 3.5 3 2.5 0 2 1.5 1 0.5 r (picometers) 0 0 50 100 150 200 250 300 transfer function ↵ 0 21