[Faculty] Fwd: [CSRC-SDSU COLLOQUIUM]: Modeling the conversion of cellulose to biofuels

[Jose Castillo]

*DATE:*  Friday, October 31st, 2014

*TITLE:*  Modeling the conversion of cellulose to biofuels

*TIME:*  3:30 PM

*LOCATION:*  GMCS 214

*SPEAKER:*  Dr. Antonio Redondo. Los Alamos National Laboratory

*ABSTRACT:*  In this seminar we will describe how we can model the
conversion of cellulosic materials to biofuels. To do this, we have
developed a coarse-­‐grained dynamical model that captures the key events
associated with the enzymatic degradation of cellulose. The model accounts
for the mobility and action of a single enzyme as well as for the synergy
of multiple enzymes on a homogeneous cellulose surface. The quantitative
description of cellulose degradation is calculated on a spatial model by
including free and bound states of all enzymes with explicit reactive
surface terms (e.g., hydrogen bond reformation) and corresponding reaction
rates. The dynamical evolution of the system is based on physical
interactions between enzymes and cellulose. We will also discuss details of
the construction of the interatomic potentials used in the model.

*HOST:*  Dr. Jose Castillo

For future events, please visit our website at:

http://www.csrc.sdsu.edu/colloquium.html

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SDSU Computational Science Research Center
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Jose E. Castillo  Ph.D.

Director / Professor

Computational Science Research Center

5500 Campanile Dr

San Diego State University

San Diego CA 92182-1245

619 5947205/3430, Fax 619-594-2459

 http://www.csrc.sdsu.edu/mimetic-book/

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