Tim Mueller
TitleCited byYear
High-performance transition metal–doped Pt3Ni octahedra for oxygen reduction reaction
X Huang, Z Zhao, L Cao, Y Chen, E Zhu, Z Lin, M Li, A Yan, A Zettl, ...
Science 348 (6240), 1230-1234, 2015
8682015
A high-throughput infrastructure for density functional theory calculations
A Jain, G Hautier, CJ Moore, SP Ong, CC Fischer, T Mueller, KA Persson, ...
Computational Materials Science 50 (8), 2295-2310, 2011
5352011
Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory
G Hautier, CC Fischer, A Jain, T Mueller, G Ceder
Chemistry of Materials 22 (12), 3762-3767, 2010
3442010
A density functional theory study of hydrogen adsorption in MOF-5
T Mueller, G Ceder
The Journal of Physical Chemistry B 109 (38), 17974-17983, 2005
1892005
Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing
T Mueller, G Hautier, A Jain, G Ceder
Chemistry of Materials 23 (17), 3854-3862, 2011
1862011
Machine learning in materials science: Recent progress and emerging applications
T Mueller, AG Kusne, R Ramprasad
Rev. Comput. Chem. 29, 2016
1562016
Ab initio prediction of ordered ground-state structures in ZrO 2-Y 2 O 3
A Predith, G Ceder, C Wolverton, K Persson, T Mueller
Physical Review B 77 (14), 144104, 2008
752008
Bayesian approach to cluster expansions
T Mueller, G Ceder
Physical Review B 80 (2), 024103, 2009
732009
Effect of Particle Size on Hydrogen Release from Sodium Alanate Nanoparticles
T Mueller, G Ceder
ACS nano 4 (10), 5647, 2010
712010
Effective interactions between the NH bond orientations in lithium imide and a proposed ground-state structure
T Mueller, G Ceder
Physical Review B 74 (13), 134104, 2006
682006
Designing multielectron lithium-ion phosphate cathodes by mixing transition metals
G Hautier, A Jain, T Mueller, C Moore, SP Ong, G Ceder
Chemistry of Materials 25 (10), 2064-2074, 2013
622013
Roles of Mo Surface Dopants in Enhancing the ORR Performance of Octahedral PtNi Nanoparticles
Q Jia, Z Zhao, L Cao, J Li, S Ghoshal, V Davies, E Stavitski, K Attenkofer, ...
Nano letters 18 (2), 798-804, 2018
412018
Cluster expansion and optimization of thermal conductivity in SiGe nanowires
MKY Chan, J Reed, D Donadio, T Mueller, YS Meng, G Galli, G Ceder
Physical Review B 81 (17), 174303, 2010
402010
Exact expressions for structure selection in cluster expansions
T Mueller, G Ceder
Physical Review B 82 (18), 184107, 2010
372010
Low-Overpotential Electroreduction of Carbon Monoxide Using Copper Nanowires
D Raciti, L Cao, KJT Livi, PF Rottmann, X Tang, C Li, Z Hicks, KH Bowen, ...
ACS Catalysis 2017 (7), 4467–4472, 2017
362017
Efficient generation of generalized Monkhorst-Pack grids through the use of informatics
P Wisesa, KA McGill, T Mueller
Physical Review B 93 (15), 155109, 2016
362016
Theoretical Insights into the Effects of Oxidation and Mo-Doping on the Structure and Stability of Pt–Ni Nanoparticles
L Cao, T Mueller
Nano Letters 16 (12), 7748-7754, 2016
352016
Rational Design of Pt3Ni Surface Structures for the Oxygen Reduction Reaction
L Cao, T Mueller
The Journal of Physical Chemistry C 119 (31), 17735-17747, 2015
302015
Mechanistic Insights for Low-Overpotential Electroreduction of CO2 to CO on Copper Nanowires
L Cao, D Raciti, C Li, KJT Livi, PF Rottmann, KJ Hemker, T Mueller, ...
ACS Cataylsis 2017 (7), 8578–8587, 2017
282017
Ab initio determination of structure-property relationships in alloy nanoparticles
T Mueller
Physical Review B 86 (14), 144201, 2012
222012
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Articles 1–20