Comment on “Cluster expansion and the configurational theory of alloys”
Tim Mueller
Physical Review B 95, 216201 (2017)
Low-Overpotential Electroreduction of Carbon Monoxide Using Copper Nanowires
David Raciti, Liang Cao, Kenneth J. T. Livi, Paul F. Rottmann, Xin Tang, Chenyang Li, Zachary Hicks, Kit H. Bowen, Kevin J. Hemker, Tim Mueller, and Chao Wang
ACS Catalysis 7, 4467 (2017)
Investigation of a Quantum Monte Carlo Protocol To Achieve High Accuracy and High-Throughput Materials Formation Energies
Kayahan Saritas, Tim Mueller, Lucas Wagner, and Jeffrey C. Grossman
Journal of Chemical Theory and Computation 13 (5), 1943 (2017)
Theoretical Insights into the Effects of Oxidation and Mo-Doping on the Structure and Stability of Pt–Ni Nanoparticles
Liang Cao, Tim Mueller
Nano Letters 16 (12), 7748 (2016)
Machine Learning in Materials Science: Recent Progress and Emerging Applications
Tim Mueller, A. Gilad Kusne, and Ramamurthy Ramprasad
Reviews in Computational Chemistry 29, 186 (2016)
Edited by Abby L. Parrill and Kenneth B. Lipkowitz
Efficient generation of generalized Monkhorst-Pack grids through the use of informatics
Pandu Wisesa, Kyle A. McGill, and Tim Mueller
Physical Review B 93, 155109 (2016)
High-performance transition metal–doped Pt3Ni octahedra for oxygen reduction reaction
Xiaoqing Huang, Zipeng Zhao, Liang Cao, Yu Chen, Enbo Zhu, Zhaoyang Lin, Mufan Li, Aiming Yan, Alex Zettl, Y. Morris Wang, Xiangfeng Duan, Tim Mueller and Yu Huang
Science 348, 1230 (2015)
Rational Design of Pt3Ni Surface Structures for the Oxygen Reduction Reaction
Liang Cao and Tim Mueller
Journal of Physical Chemistry C 119, 17735 (2015)
Origins of hole traps in hydrogenated nanocrystalline and amorphous silicon revealed through machine learning
Tim Mueller, Eric Johlin, and Jeffrey C. Grossman
Physical Review B 89, 115202 (2014)
Designing Multielectron Lithium-Ion Phosphate Cathodes by Mixing Transition Metals
Geoffroy Hautier, Anubhav Jain, Tim Mueller, Charles Moore, Shyue Ping Ong, and Gerbrand Ceder
Chemistry of Materials 25, 2064 (2013)
Ab initio determination of structure-property relationships in alloy nanoparticles
Tim Mueller
Physical Review B 86, 144201 (2012)
Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing
Tim Mueller, Geoffroy Hautier, Anubhav Jain, and Gerbrand Ceder
Chemistry of Materials 23, 3854 (2011)
A High-Throughput Infrastructure for Density Functional Theory Calculations
Anubhav Jain, Geoffroy Hautier, Charles J. Moore, Shyue Ping Ong, Christopher C. Fischer, Tim Mueller, Kristin A. Persson, and Gerbrand Ceder
Computational Materials Science 50, 2295 (2011)
Exact expressions for structure selection in cluster expansions
Tim Mueller and Gerbrand Ceder
Physical Review B 82, 184107 (2010)
Ab-initio study of the low-temperature phases of lithium imide
Tim Mueller and Gerbrand Ceder
Physical Review B 82, 174307 (2010)
Effect of particle size on hydrogen release from sodium alanate nanoparticles
Tim Mueller and Gerbrand Ceder
ACS Nano 4, 5647 (2010)
Finding nature's missing ternary oxide compounds using machine learning and density functional theory
Geoffroy Hautier, Christopher C. Fischer, Anubhav Jain, Tim Mueller, and Gerbrand Ceder
Chemistry of Materials 22, 3762 (2010)
Cluster expansion and optimization of thermal conductivity in SiGe nanowires
Maria K. Y. Chan, John Reed, Davide Donadio, Tim Mueller, Ying Shirley Meng, Giulia Galli, and Gerbrand Ceder
Physical Review B 81, 174303 (2010)
Bayesian approach to cluster expansions
Tim Mueller and Gerbrand Ceder
Physical Review B 80, 024103 (2009)
Ab initio prediction of ordered ground-state structures in ZrO2-Y2O3
Ashley Predith, Gerbrand Ceder, Chris Wolverton, Kristin Persson, and Tim Mueller
Physical Review B 77, 144104 (2008)
Effective interactions between the N-H bond orientations in lithium imide and a proposed ground-state structure
Tim Mueller and Gerbrand Ceder
Physical Review B 74, 134104 (2006)
A density functional theory study of hydrogen adsorption in MOF-5
Tim Mueller and Gerbrand Ceder
Journal of Physical Chemistry B 109, 17974 (2005)
Resolving discrepancies between LEED and STM through ab-initio calculations: the surface structure of 0.5 ML Sulfur on Mo(110)
Melvin Chen, P. G. Clark, Jr., Tim Mueller, Cynthia M. Friend, and Efthimios Kaxiras
Physical Review B 60, 11783 (1999)