Elongation method with intermediate mechanical and electrostatic embedding for geometry optimizations of polymers.
Denis MashkovtsevWataru MizukamiJacek KorchowiecAnna Stachowicz-KusnierzYuriko AokiPublished in: J. Comput. Chem. (2020)
Keyphrases
- high accuracy
- cost function
- detection method
- computational cost
- classification method
- neural network
- support vector machine
- high precision
- experimental evaluation
- dynamic programming
- multiresolution
- evolutionary algorithm
- digital images
- input data
- segmentation algorithm
- single image
- clustering method
- preprocessing
- similarity measure
- three dimensional