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Year
Materials data infrastructure: a case study of the citrination platform to examine data import, storage, and access
J O’Mara, B Meredig, K Michel
Jom 68 (8), 2031-2034, 2016
1182016
Beyond bulk single crystals: a data format for all materials structure–property–processing relationships
K Michel, B Meredig
Mrs Bulletin 41, 617-623, 2016
382016
First-Principles Study of the Li− Mg− N− H System: Compound Structures and Hydrogen-Storage Properties
KJ Michel, AR Akbarzadeh, V Ozolins
The Journal of Physical Chemistry C 113 (32), 14551-14558, 2009
362009
Determining dilute-limit solvus boundaries in multi-component systems using defect energetics: Na in PbTe and PbS
JW Doak, KJ Michel, C Wolverton
Journal of Materials Chemistry C 3 (40), 10630-10649, 2015
342015
Vacancy Diffusion in NaAlH4 and Na3AlH6
KJ Michel, V Ozoliņš
The Journal of Physical Chemistry C 115 (43), 21465-21472, 2011
342011
Native Defect Concentrations in NaAlH4 and Na3AlH6
KJ Michel, V Ozoliņš
The Journal of Physical Chemistry C 115 (43), 21443-21453, 2011
312011
First-principles computational discovery of materials for hydrogen storage
V Ozolins, AR Akbarzadeh, H Gunaydin, K Michel, C Wolverton, ...
Journal of Physics: Conference Series 180 (1), 012076, 2009
262009
Site Substitution of Ti in NaAlH4 and Na3AlH6
KJ Michel, V Ozoliņš
The Journal of Physical Chemistry C 115 (43), 21454-21464, 2011
242011
Thermodynamic measurements of sub-milligram bulk samples using a membrane-based “calorimeter on a chip”
DW Cooke, KJ Michel, F Hellman
242008
Automated crystal structure solution from powder diffraction data: Validation of the first-principles-assisted structure solution method
L Ward, K Michel, C Wolverton
Physical Review Materials 1 (6), 063802, 2017
232017
Recent advances in the theory of hydrogen storage in complex metal hydrides
KJ Michel, V Ozoliņš
MRS bulletin 38 (6), 462-472, 2013
232013
Stability and conductivity of cation- and anion-substituted -based solid-state electrolytes
Z Yao, S Kim, K Michel, Y Zhang, M Aykol, C Wolverton
Physical Review Materials 2 (6), 065402, 2018
222018
Symmetry building Monte Carlo-based crystal structure prediction
KJ Michel, C Wolverton
Computer Physics Communications 185 (5), 1389-1393, 2014
222014
Atomic structure and SiH 4-H 2 interactions of SiH 4 (H 2) 2 from first principles
K Michel, Y Liu, V Ozolins
Physical Review B 82 (17), 174103, 2010
192010
Theory of mass transport in sodium alanate
KJ Michel, V Ozolins
Journal of Materials Chemistry A 2 (12), 4438-4448, 2014
152014
Fast Mass Transport Kinetics in B20H16: A High-Capacity Hydrogen Storage Material
KJ Michel, Y Zhang, C Wolverton
The Journal of Physical Chemistry C 117 (38), 19295-19301, 2013
152013
First-principles insight into the degeneracy of ground-state LiBH 4 structures
Y Zhang, Y Wang, K Michel, C Wolverton
Physical Review B 86 (9), 094111, 2012
122012
Thermodynamic stability of transition metals on the Mg-terminated MgB 2 (0001) surface and their effects on hydrogen dissociation and diffusion
Y Wang, K Michel, Y Zhang, C Wolverton
Physical Review B 91 (15), 155431, 2015
112015
Hydrogen diffusion in bulk MgB2
Y Wang, K Michel, C Wolverton
Scripta Materialia 117, 86-91, 2016
72016
Three new crystal structures in the Na–Pb system: solving structures without additional experimental input
L Ward, K Michel, C Wolverton
Acta Crystallographica Section A: Foundations and Advances 71 (5), 542-548, 2015
72015
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