Publications Peer reviewed articles (5) The molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory: The DEC-RI-MP2 gradient Author(s): Dmytro Bykov, Kasper Kristensen, Thomas Kjærgaard Published in: The Journal of Chemical Physics, Issue 145/2, 2016, Page(s) 024106, ISSN 0021-9606 Publisher: American Institute of Physics DOI: 10.1063/1.4956454 Indefinitely stable iron(IV) cage complexes formed in water by air oxidation Author(s): Stefania Tomyn, Sergii I. Shylin, Dmytro Bykov, Vadim Ksenofontov, Elzbieta Gumienna-Kontecka, Volodymyr Bon, Igor O. Fritsky Published in: Nature Communications, Issue 8, 2017, Page(s) 14099, ISSN 2041-1723 Publisher: Nature Publishing Group DOI: 10.1038/ncomms14099 Massively parallel and linear-scaling algorithm for second-order Møller–Plesset perturbation theory applied to the study of supramolecular wires Author(s): Thomas Kjærgaard, Pablo Baudin, Dmytro Bykov, Janus Juul Eriksen, Patrick Ettenhuber, Kasper Kristensen, Jeff Larkin, Dmitry Liakh, Filip Pawłowski, Aaron Vose, Yang Min Wang, Poul Jørgensen Published in: Computer Physics Communications, Issue 212, 2017, Page(s) 152-160, ISSN 0010-4655 Publisher: Elsevier BV DOI: 10.1016/j.cpc.2016.11.002 A local framework for calculating coupled cluster singles and doubles excitation energies (LoFEx-CCSD) Author(s): Pablo Baudin, Dmytro Bykov, Dmitry Liakh, Patrick Ettenhuber, Kasper Kristensen Published in: Molecular Physics, 2017, Page(s) 1-10, ISSN 0026-8976 Publisher: Taylor & Francis DOI: 10.1080/00268976.2017.1290836 The GPU-enabled divide-expand-consolidate RI-MP2 method (DEC-RI-MP2) Author(s): Dmytro Bykov, Thomas Kjaergaard Published in: Journal of Computational Chemistry, Issue 38/4, 2017, Page(s) 228-237, ISSN 0192-8651 Publisher: John Wiley & Sons Inc. DOI: 10.1002/jcc.24678 Searching for OpenAIRE data... There was an error trying to search data from OpenAIRE No results available
