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Dr. Karl Irikura

Dr. Irikura has been working in computational quantum chemistry at NIST since 1993, primarily in the areas of thermochemistry, spectroscopy, and uncertainty estimation. Before that, he spent two years as a NIST/NRC postdoctoral associate (with J. W. Hudgens) characterizing gas-phase radicals by using resonance-enhanced multiphoton ionization spectroscopy. He came to NIST from Caltech, where his thesis work (with J. L. Beauchamp) in the gas-phase chemistry of transition-metal ions was followed by a brief post-doctoral stint (with W. A. Goddard III) doing multireference electronic structure calculations. His undergraduate research was in biomolecular simulations (with M. Karplus) and in heterogeneous and homogeneous catalysis (with S. J. Tauster and A. A. Oswald, respectively).

Dr. Irikura has authored or co-authored more than 80 peer-reviewed publications, is a frequent reviewer for a number of journals, and serves on the editorial board of the Journal of Physical and Chemical Reference Data. He is a member of the ACS, APS, ASMS, NOBCChE, and Sigma Xi.

Karl Irikura


Research Chemist
Chemical Sciences Div.

Employment History:

1991-Present: Research Chemist, NIST


Ph.D., Chemistry, California Institute of Technology, 1991

A.B., Chemistry, Harvard College, 1984


Phone: 301-975-2510
Fax: 301-975-3670