Nonadiabatic Molecular Dynamics Based on Trajectories.

Felipe Franco de Carvalho Marine E. F. Bouduban Basile F. E. Curchod Ivano Tavernelli

Published in: Entropy (2014)

Keyphrases

molecular dynamics
scientific data
high performance computing
molecular dynamics simulations
protein folding
moving objects
fluid flow
databases
data mining
data collection
computing systems