Implicit solvation in domain based pair natural orbital coupled cluster (DLPNO-CCSD) theory.
Miquel Garcia-RatésUte BeckerFrank NeesePublished in: J. Comput. Chem. (2021)
Keyphrases
- theoretical framework
- domain specific
- real world
- domain independent
- data sets
- hierarchical clustering
- pairwise
- data clustering
- formal theory
- general theory
- hierarchical structure
- domain experts
- clustering algorithm
- logic programs
- domain knowledge
- multi agent
- computational models
- information theory
- artificial systems
- neural network