Ab initio geometry optimization for large molecules.
Frank EckertPeter PulayHans-Joachim WernerPublished in: J. Comput. Chem. (1997)
Keyphrases
- optimization algorithm
- optimization strategies
- joint optimization
- real world
- artificial neural networks
- optimization problems
- optimization process
- optimization method
- multiscale
- evolutionary algorithm
- real time
- three dimensional
- decision trees
- optimization methods
- website
- constrained optimization
- computer vision
- discrete optimization
- artificial intelligence
- molecular structure