Massively parallel and linear-scaling algorithm for second-order Møller-Plesset perturbation theory applied to the study of supramolecular wires. - Thomas Kjærgaard; Pablo Baudin; Dmytro Bykov; Janus Juul Eriksen; Patrick Ettenhuber; Kasper Kristensen; Jeff Larkin; Dmitry I. Lyakh; Filip Pawlowski; Aaron Vose; Yang Min Wang; Poul Jørgensen (Comput. Phys. Commun., 2017)

The GPU-enabled divide-expand-consolidate RI-MP2 method (DEC-RI-MP2). - Dmytro Bykov; Thomas Kjærgaard (J. Comput. Chem., 2017)

Pre-exascale accelerated application development: The ORNL Summit experience. - Lixiang Luo; Tjerk P. Straatsma; Luis Enrique Aguilar-Suárez; Ria Broer; Dmytro Bykov; Eduardo F. D'Azevedo; Shirin S. Faraji; Kalyana C. Gottiparthi; Coen de Graaf; James Austin Harris; Remco W. A. Havenith; Hans Jørgen Aagard Jensen; et al. (IBM J. Res. Dev., 2020)

Experiences readying applications for Exascale. - Nicholas Malaya; Bronson Messer; Joseph Glenski; Antigoni Georgiadou; Justin Lietz; Kalyana C. Gottiparthi; Marc Day; Jackie Chen; Jon S. Rood; Lucas Esclapez; James B. White III; Gustav R. Jansen; et al. (SC, 2023)

Experiences Readying Applications for Exascale. - Paul T. Bauman; Reuben D. Budiardja; Dmytro Bykov; Noel Chalmers; Jacqueline Chen; Nicholas Curtis; Marc Day; Markus Eisenbach 002; Lucas Esclapez; Alessandro Fanfarillo; William Freitag; Nicholas Frontiere; et al. (CoRR, 2023)

Ensemble Simulations on Leadership Computing Systems. - Antigoni Georgiadou; Henry Monge-Camacho; Tanvir Sohail; Swarnava Ghosh; Arjun Valiya Parambathu; Dilipkumar N. Asthagiri; Dmytro Bykov; Tushar M. Athawale; Thomas L. Beck (SC Workshops, 2024)

Breaking the Million-Electron and 1 EFLOP/s Barriers: Biomolecular-Scale Ab Initio Molecular Dynamics Using MP2 Potentials. - Ryan Stocks; Jorge L. Galvez Vallejo; Fiona C. Y. Yu; Calum Snowdon; Elise Palethorpe; Jakub Kurzak; Dmytro Bykov; Giuseppe M. J. Barca (SC, 2024)