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

Source: http://www.doksinet Material and chemistry – vis and applications Aaron'Knoll' SCI'Ins9tute,'University'of'Utah' Source: http://www.doksinet Materials and chemistry ! Energy research is a core mission at ANL Battery, photovoltaics, biofuels, catalysis " Not always the largest science, but a large number of jobs " ! A different set of tools than “general vis” " ! VMD, Avogadro, Vesta, PyMol, Chimera, Materials Studio Larger materials data can be a challenge Volume rendering and analysis " “Direct” visualization " Maria'Chan,'Center'for'Nanoscale'Materials' KC'Lau,'Materials'Science'Division' Julius'Jellinek,'Chemical'' Science'and'Engineering' 18 Source: http://www.doksinet Interaction and immersive environments ! CAVE2 at Electronics Visualization Lab, University of Illinois Chicago

Reda'et'al.'LDAV'2013' ! Streaming a 1 Gigapixel image to Stallion at TACC Knoll'et'al.'Ultravis'2013' 19 Source: http://www.doksinet Direct RBF volume rendering No filters, lower memory footprint ! Visualization on CPU or Xeon Phi ! Knoll'et'al.'Eurovis'2014' 20 Source: http://www.doksinet Analysis Finding'bonds'from'mul9field'molecular'orbital'data' Joint'Contour'Net'(Duke'et'al.'IEEE'Vis'2012)'' Modeling'ion'diffusion' Morse'Smale'Complex'(Gyulassy'et'al.'Vis'12)'' 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