Dmytro Bykov

The GPU‐enabled divide‐expand‐consolidate RI‐MP2 method (DEC‐RI‐MP2)

Thomas Kjærgaard, Dmytro Bykov, T. Kjærgaard, 2017, J. Comput. Chem..

The divide–expand–consolidate coupled cluster scheme

Thomas Kjærgaard, Dmytro Bykov, Pablo Baudin, 2017 .

Pre-exascale accelerated application development: The ORNL Summit experience

Tjerk P. Straatsma, Joseph C. Oefelein, Matthew R. Norman, 2020, IBM J. Res. Dev..

Massively parallel and linear-scaling algorithm for second-order Møller-Plesset perturbation theory applied to the study of supramolecular wires

Aaron Vose, Dmitry Liakh, Dmytro Bykov, 2017, Comput. Phys. Commun..

A local framework for calculating coupled cluster singles and doubles excitation energies (LoFEx-CCSD)

Dmitry Liakh, Dmytro Bykov, Kasper Kristensen, 2017 .

Electronic structure of the unique [4Fe-3S] cluster in O2-tolerant hydrogenases characterized by 57Fe Mössbauer and EPR spectroscopy

Frank Neese, Eckhard Bill, Wolfgang Lubitz, 2012, Proceedings of the National Academy of Sciences.

Multilayer Divide-Expand-Consolidate Coupled-Cluster Method: Demonstrative Calculations of the Adsorption Energy of Carbon Dioxide in Mg-MOF-74 Metal-Organic Framework.

Tjerk P. Straatsma, Dmytro Bykov, Dmitry I. Lyakh, 2019, The journal of physical chemistry. A.

The molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory: The DEC-RI-MP2 gradient.

Thomas Kjærgaard, Dmytro Bykov, Kasper Kristensen, 2016, The Journal of chemical physics.