Reliable estimates of error in self-diffusivity from molecular simulations using statistical bootstrap.
Benjamin CrysupSachin ShanbhagPublished in: J. Comput. Methods Sci. Eng. (2019)
Keyphrases
- reliable estimates
- hypothesis tests
- confidence intervals
- molecular dynamics
- hypothesis testing
- three dimensional
- contingency tables
- error rate
- model selection
- statistical models
- sample size
- error bounds
- cross validation
- information theoretic
- error analysis
- statistical information
- error detection
- nonlinear diffusion
- molecular structure
- molecular structures
- neural network