Ab initio molecular dynamics simulation of redox reactions in solution.

Jochen Blumberger Yoshitaka Tateyama Michiel Sprik

Published in: Comput. Phys. Commun. (2005)

Keyphrases

molecular dynamics
molecular dynamics simulations
scientific data
high performance computing
protein folding
fluid flow
mathematical model
computer vision
distributed systems
massively parallel
computational fluid dynamics