Login / Signup
Ab initio molecular simulations with numeric atom-centered orbitals.
Volker Blum
Ralf Gehrke
Felix Hanke
Paula Havu
Ville Havu
Xinguo Ren
Karsten Reuter
Matthias Scheffler
Published in:
Comput. Phys. Commun. (2009)
Keyphrases
</>
molecular dynamics
molecular dynamics simulations
van der waals
high performance computing
protein folding
scientific data
protein structure prediction
fluid flow
three dimensional
real time
numeric data
genetic algorithm
multiscale
fine grained