John A. Keith

Affiliations: 
2013- Chemical & Petroleum Engineering University of Pittsburgh, Pittsburgh, PA, United States 
Area:
Computational chemistry, catalysis
Website:
https://www.engineering.pitt.edu/JohnKeith/
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"John Keith"
Mean distance: 8.03
 
SNBCP
Cross-listing: E-Tree

Parents

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George A. Petersson research assistant 1998-2001 Wesleyan
William A. Goddard grad student 2002-2007 Caltech
 (Computational insight into homogeneous organopalladium catalysis.)
Timo Jacob post-doc 2007-2010 Universitat Ulm
Emily Ann Carter post-doc 2010-2013 Princeton
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Publications

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Zulueta B, Tulyani SV, Westmoreland PR, et al. (2022) A Bond-Energy/Bond-Order and Populations Relationship. Journal of Chemical Theory and Computation
Eikey EA, Maldonado AM, Griego CD, et al. (2022) Quantum alchemy beyond singlets: Bonding in diatomic molecules with hydrogen. The Journal of Chemical Physics. 156: 204111
Eikey EA, Maldonado AM, Griego CD, et al. (2022) Evaluating quantum alchemy of atoms with thermodynamic cycles: Beyond ground electronic states. The Journal of Chemical Physics. 156: 064106
Zhuang H, Keith J, Martinez T. (2021) A Tribute to Emily A. Carter. The Journal of Physical Chemistry. A. 125: 1669-1670
Maldonado AM, Hagiwara S, Choi TH, et al. (2021) Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms. The Journal of Physical Chemistry. A
Wang Y, Basdogan Y, Zhang T, et al. (2020) Unveiling the Synergistic Role of Oxygen Functional Groups in the Graphene-Mediated Oxidation of Glutathione. Acs Applied Materials & Interfaces
Maldonado AM, Basdogan Y, Berryman JT, et al. (2020) First-principles modeling of chemistry in mixed solvents: Where to go from here? The Journal of Chemical Physics. 152: 130902
Keith JA. (2020) Computational Quantum Chemical Explorations of Chemical/Material Space for Efficient Electrocatalysts The Electrochemical Society Interface. 29: 63-66
Groenenboom MC, Anderson RM, Wollmershauser JA, et al. (2020) Combined Neural Network Potential and Density Functional Theory Study of TiAl2O5 Surface Morphology and Oxygen Reduction Reaction Overpotentials Journal of Physical Chemistry C. 124: 15171-15179
Basdogan Y, Maldonado AM, Keith JA. (2020) Advances and challenges in modeling solvated reaction mechanisms for renewable fuels and chemicals Wiley Interdisciplinary Reviews: Computational Molecular Science. 10
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