[LA-SiGMA-TESC] Technologies for Extreme Scale Computing seminar on Thursday (10/9)

[Wei P Feinstein]

Hi all,

We will continue our weekly seminar this Thursday (10/9) at 12:00pm-1:00pm in 1034 Digital Media Center.

Dr. Joohyun Kim, a research scientist at CCT, will present "Hadoop MapReduce-based Replica Exchange Statistical Temperature Molecular Dynamics (RESTMD)".

In this talk, Dr. Kim will present recent development of the novel advanced sampling method, Replica Exchange Statistical Temperature Molecular Dynamics (RESTMD).  The main purpose of this method is to enable large-scale bimolecular conformational sampling with all-atom molecular dynamics simulations.  STMD and RESTMD were recently introduced by collaborators, Professor Tom Keyes (Boston U.) and Dr. Jaegil Kim, and the new contribution is to implement RESTMD using Hadoop MapReduce.  His team implemented STMD for CHARMM and currently, the porting for LAMMPS is actively underway.  The outstanding advantages and potential applications of RESTMD and merits and challenges for the use of Hadoop-based frameworks for large scale scientific applications will be discussed.

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.
Center for Computation and Technology
Computational Biology
Louisiana State University
E-mail: wfeinstein at lsu.edu
Lab: http://brylinski.cct.lsu.edu/
Office: 401 Choppin Hall, 2060 DMC
Tel: 251-599-3814
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