Browsing Science (Faculty of) by Subject "object-oriented programming"
Now showing items 1-1 of 1
-
Design of efficient block-sparse data structures and associated tensor multiplications for applications in Cluster in Molecule electronic structure calculations
(University of Waterloo, 2022-08-18)The Cluster-in-molecule approach (CiM) is one of the most popular methods in electronic structure calculations for medium to large molecules and systems. The Nooijen group is currently developing a new CiM approach using ...