Graeme A Henkelman, Ph.D.

2001 Chemistry University of Washington, Seattle, Seattle, WA 
 2004- Chemistry University of Texas at Austin, Austin, Texas, U.S.A. 
Physical Chemistry
"Graeme A Henkelman"

Mean distance: 9.98


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Hannes Jónsson grad student 2001 University of Washington
 (Methods for calculating rates of transitions with application to catalysis and crystal growth.)
Arthur F. Voter post-doc 2002-2004 LANL (E-Tree)


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Liang Zhang grad student
Hao Li grad student 2015-1019 UT Austin
Daniel Sheppard grad student 2005-2010 UT Austin
Wenjie Tang grad student 2005-2010 UT Austin
Chun-Yaung Lu grad student 2007-2010 UT Austin
Nikolay Shestopalov grad student 2008-2011 UT Austin
Zachary Pozun grad student 2007-2012 UT Austin
Rye Terrell grad student 2007-2013 UT Austin
Samuel Chill grad student 2009-2014 UT Austin
Penghao Xiao grad student 2009-2014 UT Austin
Juliana Duncan grad student 2010-2015 UT Austin
Shannon Stauffer grad student 2011-2016 UT Austin
Xinyu Li grad student 2015-2018 UT Austin
Wenrui Chai grad student 2013-2019 UT Austin
Lijun Xu post-doc 2006-2008 UT Austin
Bradley M. Dickson post-doc 2007-2009 UT Austin
Gopi Krishna Phani post-doc 2009-2011 UT Austin
HyunYou Kim post-doc 2010-2012 UT Austin
Jin-Myoung Lim post-doc 2016-2017 UT Austin
Ieuan Seymour post-doc 2018-2020 UT Austin


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Michael Drew Gammage collaborator 2010-2016 UT Austin (E-Tree)
BETA: Related publications


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Lu S, Nam H, Xiao P, et al. (2021) PTCDA Molecular Monolayer on Pb Thin Films: An Unusual π-Electron Kondo System and Its Interplay with a Quantum-Confined Superconductor. Physical Review Letters. 127: 186805
Aslam MK, Seymour ID, Katyal N, et al. (2020) Metal chalcogenide hollow polar bipyramid prisms as efficient sulfur hosts for Na-S batteries. Nature Communications. 11: 5242
Lu HC, Ghosh S, Katyal N, et al. (2020) Synthesis and Dual-Mode Electrochromism of Anisotropic Monoclinic NbO Colloidal Nanoplatelets. Acs Nano
Chen Q, Pei Y, Chen H, et al. (2020) Highly reversible oxygen redox in layered compounds enabled by surface polyanions. Nature Communications. 11: 3411
Li L, Li H, Seymour ID, et al. (2020) Pair-distribution-function guided optimization of fingerprints for atom-centered neural network potentials. The Journal of Chemical Physics. 152: 224102
Xu J, Avellan A, Li H, et al. (2020) Sulfur Loading and Speciation Control the Hydrophobicity, Electron Transfer, Reactivity, and Selectivity of Sulfidized Nanoscale Zerovalent Iron. Advanced Materials (Deerfield Beach, Fla.). e1906910
Xie ZL, Chai W, Kerns SA, et al. (2020) Bioinspired CNP Iron(II) Pincers Relevant to [Fe]-Hydrogenase (Hmd): Effect of Dicarbonyl versus Monocarbonyl Motifs in H Activation and Transfer Hydrogenation. Inorganic Chemistry
Gamler JTL, Shin K, Ashberry HM, et al. (2020) Intermetallic PdPb nanocubes with high selectivity for the 4-electron oxygen reduction reaction pathway. Nanoscale
Chen J, Li H, Pei Z, et al. (2020) Catalytic activity atlas of ternary Co–Fe–V metal oxides for the oxygen evolution reaction Journal of Materials Chemistry. 8: 15951-15961
Guo H, Trindell JA, Li H, et al. (2020) Testing the predictive power of theory for PdxIr(100−x) alloy nanoparticles for the oxygen reduction reaction Journal of Materials Chemistry A. 8: 8421-8429
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