Energy components of aqueous solution: Insight from hybrid QM/MM simulations using a polarizable solvent model.
Jiali GaoPublished in: J. Comput. Chem. (1997)
Keyphrases
- mathematical model
- formal model
- computational model
- sensitivity analysis
- experimental data
- multiscale
- closed form
- probabilistic model
- management system
- theoretical framework
- process model
- cost function
- energy consumption
- evolutionary algorithm
- search algorithm
- optimization method
- optimal solution
- neural network model
- decision trees
- optimization procedure
- simulation models
- simulation data