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., 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.
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

Highlights

Visualization of an aerosolized SARS-CoV-2 particle with various components inside and outside the particle.
December 30, 2021

2021 at the OLCF: Year in Review

December 13, 2021

Oak Ridge National Laboratory Supercomputers Support Nobel Prize–Winning Research

August 26, 2020

NCCS Summer Interns Completed Successful Season Despite COVID-19