[LA-SiGMA-TESC] Technologies for Extreme Scale Computing seminar Thursday (2/19)

[Wei P Feinstein]

Hi all,


We have our weekly TESC seminar this Thursday (2/19) at the Digital Media Center.


Troy Loeffler, a graduate student from the Department of Chemistry, will be presenting "Proton Reactivity: Computational Challenges and Project Goals"


Abstract:

In recent years it has been shown by both experiment and simulation that the simplest of solvated atoms, the proton, is by far one of the most difficult to model in a water system.  Unlike other molecules in solution, the proton can rapidly move about in water because of delocalization mechanisms. In recent years new models such as the Multi-State Empirical Valence Bond (MSEVB) method has been successful in modeling these systems; however, the complexity of the model makes it computationally prohibitive for Monte Carlo style simulations. This talk will outline the model, the computational problems associated with its use, and the goals this project hopes to achieve.


PIZZA AND DRINK WILL BE PROVIDED.
Presentation time: 12:00PM-1:00PM CST
Location: 1034 Digital Media Center


The meeting will be shared through adobe connect at http://connect.lsu.edu/gpu/


Best,
Wei


Wei Feinstein, Ph.D.
High Performance Computing
Louisiana State University
E-mail: wfeinstein at lsu.edu
Office: 337 Frey Computing Services Center, 2060 DMC
Tel: 225-578-0582
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