Numerical Errors in Minimization Based Binding Energy Calculations.
Miklos FeherChristopher I. WilliamsPublished in: J. Chem. Inf. Model. (2012)
Keyphrases
- energy minimization
- energy consumption
- error minimization
- failure modes
- numerical data
- global minimization
- sensitivity analysis
- energy efficient
- minimum energy
- numerical analysis
- error analysis
- energy efficiency
- artificial intelligence
- machine learning
- neural network
- data sets
- finite difference
- three dimensional
- minimization problems