Lucas P. Koziol, Ph.D.
Affiliations: | 2000-2004 | University of California, Davis, Davis, CA | |
| 2004-2009 | Chemistry | University of Southern California, Los Angeles, CA, United States | |
| 2009-2011 | Amicrobe, Inc | ||
| 2011-2014 | Sandia National Laboratories, Livermore CA | ||
| 2014- | Exxon Corporate Research Laboratory, Annandale, NJ, United States |
Area:
Computational Studies of Electronic Structure and Spectroscopy of Open-Shell and Electronically Excited SpeciesGoogle:
"Lucas Koziol"Mean distance: 9.38
Parents
Sign in to add mentor| Anna I. Krylov | grad student | 2009 | USC | |
| (Electronic structure and spectroscopy of excited and open-shell species.) | ||||
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Publications
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| Koziol L, Fried LE, Goldman N. (2016) Using Force Matching To Determine Reactive Force Fields for Water under Extreme Thermodynamic Conditions. Journal of Chemical Theory and Computation |
| Koziol L, Morales MM. (2014) A fixed-node diffusion Monte Carlo study of the 1,2,3-tridehydrobenzene triradical. The Journal of Chemical Physics. 140: 224316 |
| Koziol L, Essiz SG, Wong SE, et al. (2013) Computational Analysis of a Zn-Bound Tris(imidazolyl) Calix[6]arene Aqua Complex: Toward Incorporating Second-Coordination Sphere Effects into Carbonic Anhydrase Biomimetics. Journal of Chemical Theory and Computation. 9: 1320-7 |
| Koziol L, Kumar N, Wong SE, et al. (2013) Molecular recognition of aromatic rings by flavin: electrostatics and dispersion determine ring positioning above isoalloxazine. The Journal of Physical Chemistry. A. 117: 12946-52 |
| Lau EY, Wong SE, Baker SE, et al. (2013) Comparison and analysis of zinc and cobalt-based systems as catalytic entities for the hydration of carbon dioxide. Plos One. 8: e66187 |
| Koziol L, Valdez CA, Baker SE, et al. (2012) Toward a small molecule, biomimetic carbonic anhydrase model: theoretical and experimental investigations of a panel of zinc(II) aza-macrocyclic catalysts. Inorganic Chemistry. 51: 6803-12 |
| Karpichev B, Koziol L, Diri K, et al. (2010) Electronically excited and ionized states of the CH2CH2OH radical: a theoretical study. The Journal of Chemical Physics. 132: 114308 |
| Kamarchik E, Koziol L, Reisler H, et al. (2010) Roaming pathway leading to unexpected water + vinyl products in C 2H4OH dissociation Journal of Physical Chemistry Letters. 1: 3058-3065 |
| Koziol L, Mozhayskiy VA, Braams BJ, et al. (2009) Ab initio calculation of the photoelectron spectra of the hydroxycarbene diradicals. The Journal of Physical Chemistry. A. 113: 7802-9 |
| Fedorov I, Koziol L, Mollner AK, et al. (2009) Multiphoton ionization and dissociation of diazirine: a theoretical and experimental study. The Journal of Physical Chemistry. A. 113: 7412-21 |