Noniterative Multireference Coupled Cluster Methods on Heterogeneous CPU-GPU Systems.
Bhaskaran-Nair K, Ma W, Krishnamoorthy S, Villa O, van Dam HJ, Aprà E, Kowalski K.
Bhaskaran-Nair K, et al. Among authors: kowalski k.
J Chem Theory Comput. 2013 Apr 9;9(4):1949-57. doi: 10.1021/ct301130u. Epub 2013 Mar 19.
J Chem Theory Comput. 2013.
PMID: 26583545
A novel parallel algorithm for noniterative multireference coupled cluster (MRCC) theories, which merges recently introduced reference-level parallelism (RLP) [Bhaskaran-Nair, K.; Brabec, J.; Apra, E.; van Dam, H. J. J.; Pittner, J.; Kowalski, K. ...
A novel parallel algorithm for noniterative multireference coupled cluster (MRCC) theories, which merges recently introduced reference-level …