Background

Dmytro Bykov joined the Scientific Computing Team in National Center for Computational Sciences on June 5th 2017. Before that he was Junior Group Leader at Max Planck Institute for Chemical Energy Conversion (Germany) and Marie Curie Postdoctoral Research Fellow at Aarhus University (Denmark) in the group of Prof. Poul Jorgensen. Dmytro got his PhD in Theoretical Chemistry from University of Bonn (Germany) working with Prof. Frank Neese. His Master and Bachelor degrees in Physical Chemistry are from Kiev National University (Ukraine). Dmytro’s main interests lie in development of new methods in theoretical chemistry, their efficient and parallel implementations as well as in applying theoretical methods for predicting chemical reactivity and spectroscopy.

Education

2013
University of Bonn
Theoretical Chemistry
Doctor of Philosophy (Ph.D.)

R&D Activities Contributions

Center for Accelerated Application Readiness (CAAR) - In preparation for next-generation supercomputer Summit, the Oak Ridge Leadership Computing Facility (OLCF) selected 13 partnership projects into its Center for Accelerated Application Readiness (CAAR)…

Publications

Bykov, D., Kjaergaard T. “The GPU‐enabled divide‐expand‐consolidate RI‐MP2 method (DEC‐RI‐MP2)” J Comp Chem (2017), 38(4), 228.
Bykov, D., Kjaergaard T. “The GPU‐enabled divide‐expand‐consolidate RI‐MP2 method (DEC‐RI‐MP2)” J Comp Chem (2017), 38(4), 228.
Bykov, D., Petrenko, T., Izsak, R., Kossmann, Becker, U., Valeev, E., Neese, F. "Efficient Calculation of Analytic Second Derivatives of Hartree-Fock and Hybrid DFT Energies. A Detailed Analysis of Different Approximations" Mol. Phys. (2015), 113(13-14): 1961-1977.
Bykov, D., Petrenko, T., Izsak, R., Kossmann, Becker, U., Valeev, E., Neese, F. "Efficient Calculation of Analytic Second Derivatives of Hartree-Fock and Hybrid DFT Energies. A Detailed Analysis of Different Approximations" Mol. Phys. (2015), 113(13-14): 1961-1977.
Corzo, Hector H., Andreas Erbs Hillers-Bendtsen, Ashleigh Barnes, Abdulrahman Y. Zamani, Filip Pawłowski, Jeppe Olsen, Poul Jørgensen, Kurt V. Mikkelsen, and Dmytro Bykov. "Coupled cluster theory on modern heterogeneous supercomputers." Frontiers in Chemistry 11 (2023): 1154526.
Corzo, Hector H., Andreas Erbs Hillers-Bendtsen, Ashleigh Barnes, Abdulrahman Y. Zamani, Filip Pawłowski, Jeppe Olsen, Poul Jørgensen, Kurt V. Mikkelsen, and Dmytro Bykov. "Coupled cluster theory on modern heterogeneous supercomputers." Frontiers in Chemistry 11 (2023): 1154526.
Hillers-Bendtsen, Andreas Erbs, Dmytro Bykov, Ashleigh Barnes, Dmitry Liakh, Hector H. Corzo, Jeppe Olsen, Poul Jørgensen, and Kurt V. Mikkelsen. "Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations." The Journal of Chemical Physics 158, no. 14 (2023).
Hillers-Bendtsen, Andreas Erbs, Dmytro Bykov, Ashleigh Barnes, Dmitry Liakh, Hector H. Corzo, Jeppe Olsen, Poul Jørgensen, and Kurt V. Mikkelsen. "Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations." The Journal of Chemical Physics 158, no. 14 (2023).
Kjærgaard, T., Baudin P., Bykov, D., Kristensen, K., Jørgensen P. “The divide–expand–consolidate coupled cluster scheme” WIREs Comput Mol Sci ( 2017), e1319. doi:10.1002/wcms.1319
Kjærgaard, T., Baudin P., Bykov, D., Kristensen, K., Jørgensen P. “The divide–expand–consolidate coupled cluster scheme” WIREs Comput Mol Sci ( 2017), e1319. doi:10.1002/wcms.1319
Luo, Lixiang, Tjerk P. Straatsma, LE Aguilar Suarez, Ria Broer, Dmytro Bykov, Eduardo F. D'Azevedo, Shirin S. Faraji et al. "Pre-exascale accelerated application development: The ORNL summit experience." IBM Journal of Research and Development 64, no. 3/4 (2020): 11-1.
Luo, Lixiang, Tjerk P. Straatsma, LE Aguilar Suarez, Ria Broer, Dmytro Bykov, Eduardo F. D'Azevedo, Shirin S. Faraji et al. "Pre-exascale accelerated application development: The ORNL summit experience." IBM Journal of Research and Development 64, no. 3/4 (2020): 11-1.
Tsuji, Nobuya, Jennifer L. Kennemur, Thomas Buyck, Sunggi Lee, Sébastien Prévost, Philip SJ Kaib, Dmytro Bykov, Christophe Farès, and Benjamin List. "Activation of olefins via asymmetric Brønsted acid catalysis." Science 359, no. 6383 (2018): 1501-1505.
Tsuji, Nobuya, Jennifer L. Kennemur, Thomas Buyck, Sunggi Lee, Sébastien Prévost, Philip SJ Kaib, Dmytro Bykov, Christophe Farès, and Benjamin List. "Activation of olefins via asymmetric Brønsted acid catalysis." Science 359, no. 6383 (2018): 1501-1505.

Highlights