SCHEDULE: NOV 16-21, 2014

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ENTIRE WEEK SUNDAY MONDAY TUESDAY WEDNESDAY THURSDAY FRIDAY

Visualization of Energy Conversion Processes in a Light Harvesting Organelle at Atomic Detail

SESSION: Visualization & Data Analytics Showcase

EVENT TYPE: Visualization & Data Analytics Showcase

TIME: 10:30AM - 12:00PM

SESSION CHAIR: Hank Childs

AUTHOR(S):Melih Sener, John E. Stone, Angela Barragan, Abhishek Singharoy, Ivan Teo, Kirby L. Vandivort, Barry Isralewitz, Bo Liu, Boon Chong Goh, James C. Phillips, Lena F. Kourkoutis, C. Neil Hunter, Klaus Schulten

ROOM:386-87

ABSTRACT:

The cellular process responsible for providing energy for most life on Earth,
namely, photosynthetic light-harvesting, requires the cooperation of hundreds
of proteins across an organelle, involving length and time scales spanning
several orders of magnitude over quantum and classical regimes.
Simulation and visualization of this fundamental energy conversion process pose many unique methodological and computational challenges.
We present, in an accompanying movie, light-harvesting in the photosynthetic apparatus found in purple bacteria, the so-called chromatophore.
The movie is the culmination of three decades of modeling efforts,
featuring the collaboration of theoretical, experimental, and computational scientists. We describe the techniques that were used to build, simulate,
analyze, and visualize the structures shown in the movie,
and we highlight cases where scientific needs spurred the
development of new parallel algorithms that efficiently harness
GPU accelerators and petascale computers.

Chair/Author Details:

Hank Childs (Chair) - University of Oregon and Lawrence Berkeley National Laboratory

Melih Sener - University of Illinois at Urbana-Champaign

John E. Stone - University of Illinois at Urbana-Champaign

Angela Barragan - University of Illinois at Urbana-Champaign

Abhishek Singharoy - University of Illinois at Urbana-Champaign

Ivan Teo - University of Illinois at Urbana-Champaign

Kirby L. Vandivort - University of Illinois at Urbana-Champaign

Barry Isralewitz - University of Illinois at Urbana-Champaign

Bo Liu - University of Illinois at Urbana-Champaign

Boon Chong Goh - University of Illinois at Urbana-Champaign

James C. Phillips - University of Illinois at Urbana-Champaign