Los Alamos National Laboratory

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Pavel Dub

Pavel Dub

Phone (505) 667-5214


  • Chemical Science
  • Biological chemistry
  • Inorganic chemistry
  • Organic chemistry
  • Physical chemistry
  • Chemical synthesis
  • Computational chemistry


  • Organometallic and Inorganic Chemistry
  • Practical Molecular Catalysis
  • Asymmetric Catalysis
  • Multinuclear Variable Temperature Molecular Spectroscopy
  • High-Performance CPU Computational Chemistry (transition metals, f-elements etc. with Gaussian and other codes)
  • Quantum computing (simulation) of electronic structure with Quantum Computer


  • JSPS Postdoctoral Fellow (2010 - 2013), Tokyo Institute of Technology, Tokyo, Japan. Advisor: Prof. Takao Ikariya.
  • Ph.D. (2nd) in Organometallic and Computational Chemistry (2007 - 2010), Université de Toulouse, Toulouse, France. Advisor: Prof. Rinaldo Poli.
  • Ph.D. in Organoelement and Physical Chemistry (2007 - 2009), Russian Academy of Sciences, A. N. Nesmeyanov Institute of Organoelement Compounds (INEOS RAS), Moscow, Russia. Advisor: Elena S. Shubina.
  • M.S. in Organometallic Chemistry (2007, summa cum laude), Higher Chemical College of the Russian Academy of Sciences (HCC RAS), Moscow, Russia.

LANL Positions

  • Scientist 3, Chemistry Division, C-IIAC, 2016 - present
  • J. Robert Oppenheimer Distinguished Postdoctoral Fellow, Chemistry Division, C-IIAC, 2014 - 2016
  • Director’s Postdoctoral Fellow, Chemistry Division, C-IIAC, 2013 - 2014. Sponsor: Dr. John C. Gordon

Professional Societies

  • American Chemical Society
  • Chemical Society of Japan






~35 published research papers including 3 reviews; 2 patent applications; 1 book; Google Scholar (February, 2019): Sum of the Times Cited: >1150; h-index: 19


  • Recent Talks:

ZIOC RAS (Ananikov Lab), July 26th, 2018, Moscow, Russia (invited); 2018 ACS Meeting in New Orleans, LA, March 18–22, 2018; 2017 Gordon Research Conference (GRC) on Organometallic Chemistry in Newport, RI, July 9–14, 2017 (short talk selected from poster session); 2017 ACS Meeting in San Francisco, CA, April 2–6, 2017; 2016 Gordon Research Conference (GRC) on Green Chemistry in Stowe, VT, July 31 - August 5, 2016 (short talk selected from poster session); 2016 ACS Meeting in San Diego, CA, March 13–17, 2016 (invited, Symposium in honor of Richard Martin); Pacifichem 2015 in Honolulu, HI, December 15–20, 2015 (invited); The 93rd Annual Meeting of CSJ in Kyoto, March 22–17, 2013.


Publons: publons.com/a/1308714/


Primary Research Line, Ligands and Catalysts Portfolio (representative examples) and Full List of Publications:


Documents and Files