JSPS Postdoctoral Fellow , Advisor: Prof. Takao Ikariya
Tokyo Institute of Technology
2010 - 2013
Ph.D. (2nd), Organometallic and Computational Chemistry
Université de Toulouse
2007 - 2010
Ph.D., Organoelement and Physical Chemistry
Russian Academy of Sciences, A. N. Nesmeyanov Institute of Organoelement Compounds (INEOS RAS)
2007 - 2009
M.S. in Organometallic Chemistry, Organometallic Chemistry
Higher Chemical College of the Russian Academy of Sciences (HCC RAS)
2007
Positions
2016 - Present | Scientist 3
2014 - 2016 | J. Robert Oppenheimer Distinguished Postdoctoral Fellow
2013 - 2014 | Director’s Postdoctoral Fellow
Awards
2020 STREM Chemicals Inc. commercialized Dub Homogeneous Ruthenium Catalysts for Ester Hydrogenations
2018 A molecular Ir catalyst developed by Pavel Dub of Chemistry Division at LANL was featured in a cover image of the latest issue of Nature Reviews Chemistry (2018, volume 2, issue 12). The catalyst is commercially available from STREM CHEMICAL, INC.
2018 Publons Peer Review Award (Top 1% Peer-Reviewer in Chemistry)
2017 Book “Enantioselection in Asymmetric Catalysis” highlighted by Prof. Tsuneo Imamoto in the Journal of Tokyo Chemical Industry Co., Ltd. # TCIMAIL 174.
2016 Los Alamos National Laboratory J. Robert Oppenheimer (JRO) Distinguished Postdoctoral Fellowship (one of 2 appointments per year, open to all nationalities, typically around 1000 applicants for postdoctoral positions/yr. “Candidates for LANL Distinguished Postdoctoral Fellows display extraordinary ability in scientific research and show clear and definite promise of becoming outstanding leaders in the research they pursue”).
2010 JSPS (Japan Society for the Promotion of Science) Postdoctoral Research Fellowship 2010-2012 (1168 applications were received in FY 2010–2011, among which 150 fellowships were awarded); Grant-in-Aid for Scientific Research for JSPS Postdoctoral Research Fellows.
2009 FIGIPAS and Wiley-VCH award 2009 for the best poster (from 192 posters) at the FIGIPAS 10th Meeting in Inorganic Chemistry, Palermo, Italy, July 1-4, 2009.
Professional Societies
American Chemical Society
Chemical Society of Japan
Selected Recent Publications
Organometallic Chemistry & Catalysis
Dub, P. A.* Alkali Metal Alkoxides in Noyori-type Hydrogenations (A Celebratory Collection in EurJIC for Professor Rinaldo Poli). Eur. J. Inorg. Chem. 2021, provisionally accepted
Dub, P. A.*; Tkachenko, N. V., Mechanism of Potassium tert-Butoxide‒Catalyzed Ketones Hydrogenation in Solution-Phase (The Journal of Physical Chemistry virtual special issue “Alexander Boldyrev Festschrift”). J. Phys. Chem. A, 2021, 125, 26, 5726–5737.
Dub, P. A.*; Tkachenko, N. V.; Vijesh, V.; Wills, M.; Smith, J. S.; Tretiak, S., Enantioselectivity in the Noyori–Ikariya Asymmetric Transfer Hydrogenation of Ketones. Organometallics 2021, 40 (9), 1402–1410.
Dub, P. A.*; Batrice, R. J.; Gordon, J. C.; Scott, B. L.; Minko, Y.; Schmidt, J. G.; Williams, R. F., Engineering Catalysts for Selective Ester Hydrogenation. Org. Process Res. Dev. 2020, 24 (3), 415-442.
High-Performance Computing
Yokelson, D.; Tkachenko, N. V.; Robey, R.; Li, Y.-W.; Dub, P. A.* Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics. The International Conference for High Performance Computing, Networking, Storage, and Analysis (SC21), (submitted, arXiv:2109.04536)“
Quantum Computing
Teplukhin, A.; Kendrick, B. K.; Mniszewski, S. M.; Zhang, Y.; Kumar, A.; Negre, CFA; Anisimov, P.; Tretiak, S.*; Dub, P. A.*, Computing molecular excited states on a D-Wave quantum annealer. Sci. Rep. 2021 (accepted, arxiv:2107.00162)
Tkachenko, N. V.; Sud, J.; Zhang, Y.*; Tretiak, S.; Anisimov, P. M.; Arrasmith, A. T.; Coles, P. J.; Cincio, L.*; Dub, P. A.*, Correlation-informed permutation of qubits for reducing ansatz depth in the Variational Quantum Eigensolver. PRX Quantum 2021, 2, 020337.
Teplukhin, A.; Kendrick, B. K.*; Tretiak, S.; Dub, P. A.*, Electronic structure with direct diagonalization on a D-wave quantum annealer. Sci. Rep. 2020, 10 (1), 20753.
Patents
Dub, P. A.; Batrice, R. J.; Gordon, J. C. Synthesis of fluoral hemiacetals and hemiaminals via transition metal-catalyzed ester hydrogenation. WO2015191505A1, 2019.
Dub, P.; Gordon, J. C.; Schmidt, J. G.; Minko, Y.; Williams, R. F. Macrocyclic ligands and their complexes for bifunctional molecular catalysis. Patent number: 10487100 (Application Number: 15/944,503), 2017.
Dub, P. A.; Gordon, J. C. Polydentate ligands and their complexes for molecular catalysis. US20170088571A1, 2015.
