Development of an automated reliable method to compute transport properties from DPD equilibrium simulations: Application to simple fluids.
N. LaurielloGianluca BoccardoDaniele L. MarchisioMartin LísalAntonio BuffoPublished in: Comput. Phys. Commun. (2023)
Keyphrases
- preprocessing
- high precision
- significant improvement
- pairwise
- fully automatic
- detection method
- mutual information
- sensitivity analysis
- optimization algorithm
- theoretical analysis
- decision support
- software engineering
- computational cost
- experimental evaluation
- high accuracy
- machine learning
- input data
- knn
- synthetic data
- segmentation method
- mathematical model
- dynamic programming
- prior knowledge
- objective function