Free energy simulations with the AMOEBA polarizable force field and metadynamics on GPU platform.
Xiangda PengYuebin ZhangHuiying ChuGuohui LiPublished in: J. Comput. Chem. (2016)
Keyphrases
- free energy
- force field
- active contour model
- belief propagation
- active contours
- fixed point
- competitive learning
- upper bound
- deformable models
- approximate inference
- information theory
- graphical models
- energy minimization
- lower bound
- object boundaries
- gradient vector flow
- graph cuts
- energy function
- vector field
- posterior distribution
- image sequences
- high quality