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TAMM: Tensor algebra for many-body methods.
Mutlu E, Panyala A, Gawande N, Bagusetty A, Glabe J, Kim J, Kowalski K, Bauman NP, Peng B, Pathak H, Brabec J, Krishnamoorthy S. Mutlu E, et al. Among authors: kowalski k. J Chem Phys. 2023 Jul 14;159(2):024801. doi: 10.1063/5.0142433. J Chem Phys. 2023. PMID: 37428065
Universal state-selective corrections to multi-reference coupled-cluster theories with single and double excitations.
Brabec J, van Dam HJ, Pittner J, Kowalski K. Brabec J, et al. Among authors: kowalski k. J Chem Phys. 2012 Mar 28;136(12):124102. doi: 10.1063/1.3692969. J Chem Phys. 2012. PMID: 22462830
The recently proposed universal state-selective (USS) corrections [K. Kowalski, J. Chem. Phys. 134, 194107 (2011)] to approximate multi-reference coupled-cluster (MRCC) energies can be commonly applied to any type of MRCC theory based on the Jeziorski-Monkhorst [B. …
The recently proposed universal state-selective (USS) corrections [K. Kowalski, J. Chem. Phys. 134, 194107 (2011)] to approxim …
Iterative universal state selective correction for the Brillouin-Wigner multireference coupled-cluster theory.
Banik S, Ravichandran L, Brabec J, Hubač I, Kowalski K, Pittner J. Banik S, et al. Among authors: kowalski k. J Chem Phys. 2015 Mar 21;142(11):114106. doi: 10.1063/1.4914311. J Chem Phys. 2015. PMID: 25796230
As a further development of the previously introduced a posteriori Universal State-Selective (USS) corrections [K. Kowalski, J. Chem. Phys. 134, 194107 (2011); J. Brabec et al., ibid. 136, 124102 (2012)], we suggest an iterative form of the USS correction by means o …
As a further development of the previously introduced a posteriori Universal State-Selective (USS) corrections [K. Kowalski, J …
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 …
Parallel Implementation of Multireference Coupled-Cluster Theories Based on the Reference-Level Parallelism.
Brabec J, Pittner J, van Dam HJ, Aprà E, Kowalski K. Brabec J, et al. Among authors: kowalski k. J Chem Theory Comput. 2012 Feb 14;8(2):487-97. doi: 10.1021/ct200809m. Epub 2012 Feb 1. J Chem Theory Comput. 2012. PMID: 26596599
A significant improvement in scalability and in reduction of time to solution is reported with respect to recently reported parallel implementation of the BW-MRCCSD formalism [Brabec, J.; van Dam, H. J. J.; Kowalski, K.; Pittner, J. Chem. Phys. Lett.2011, 514, 347]. …
A significant improvement in scalability and in reduction of time to solution is reported with respect to recently reported parallel impleme …
622 results