Molecular dynamics with helical periodic boundary conditions.

Jirí Kessler Petr Bour

Published in: J. Comput. Chem. (2014)

Keyphrases

boundary conditions
molecular dynamics
high performance computing
scientific data
molecular dynamics simulations
shape from shading
sufficient conditions
protein folding
finite element model
spline interpolation
poisson equation
fluid flow
boundary value problem
blood flow
state space
parallel computing