Implicit solvation in domain based pair natural orbital coupled cluster (DLPNO-CCSD) theory.

Miquel Garcia-Ratés Ute Becker Frank Neese

Published 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