Poster: Towards Highly Accurate Large-Scale Ab Initio Calculations Using Fragment Molecular Method in GAMESS.
Maricris L. MayesGraham D. FletcherMark S. GordonPublished in: SC Companion (2012)
Keyphrases
- highly accurate
- high accuracy
- similarity measure
- cost function
- high precision
- significant improvement
- synthetic data
- three dimensional
- pairwise
- machine learning
- experimental evaluation
- detection method
- theoretical analysis
- clustering method
- real world
- optimization method
- detection algorithm
- segmentation algorithm
- input data
- markov random field
- neural network
- dynamic programming
- optical flow