Implementing replica exchange molecular dynamics using work queue.

Maritza Smith-Romero Jin Niu Alvin Allen Abrahim Khosravi Shuju Bai

Published in: BIBM (2013)

Keyphrases

molecular dynamics
high performance computing
scientific data
molecular dynamics simulations
fault tolerance
protein folding
fluid flow
load balancing
computer vision
peer to peer
database systems
data collection