Machine learning for interatomic potential models von Mueller, Tim, Hernandez, Alberto, Wang, Chuhong

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Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing von Mueller, Tim, Hautier, Geoffroy, Jain, Anubhav, Ceder, Gerbrand

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High-performance transition metal-doped Pt3Ni octahedra for oxygen reduction reaction von Huang, Xiaoqing, Zhao, Zipeng, Cao, Liang, Chen, Yu, Zhu, Enbo, Lin, Zhaoyang, Li, Mufan, Yan, Aiming, Zettl, Alex, Wang, Y. Morris, Duan, Xiangfeng, Mueller, Tim, Huang, Yu

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Ensemble Effect in Bimetallic Electrocatalysts for CO2 Reduction von Wang, Yuxuan, Cao, Liang, Libretto, Nicole J, Li, Xing, Li, Chenyang, Wan, Yidong, He, Connie, Lee, Jinsung, Gregg, John, Zong, Han, Su, Dong, Miller, Jeffery T, Mueller, Tim, Wang, Chao

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Identifying models of dielectric breakdown strength from high-throughput data via genetic programming von Yuan, Fenglin, Mueller, Tim

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Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory von Hautier, Geoffroy, Fischer, Christopher C, Jain, Anubhav, Mueller, Tim, Ceder, Gerbrand

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Roles of Mo Surface Dopants in Enhancing the ORR Performance of Octahedral PtNi Nanoparticles von Jia, Qingying, Zhao, Zipeng, Cao, Liang, Li, Jingkun, Ghoshal, Shraboni, Davies, Veronica, Stavitski, Eli, Attenkofer, Klaus, Liu, Zeyan, Li, Mufan, Duan, Xiangfeng, Mukerjee, Sanjeev, Mueller, Tim, Huang, Yu

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Effect of Particle Size on Hydrogen Release from Sodium Alanate Nanoparticles von Mueller, Tim, Ceder, Gerbrand

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Efficient generation of generalized Monkhorst-Pack grids through the use of informatics von Wisesa, Pandu, McGill, Kyle A., Mueller, Tim

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Ordered Intermetallic Pd3Bi Prepared by an Electrochemically Induced Phase Transformation for Oxygen Reduction Electrocatalysis von Sun, Du, Wang, Yunfei, Livi, Kenneth J.T, Wang, Chuhong, Luo, Ruichun, Zhang, Zhuoqun, Alghamdi, Hamdan, Li, Chenyang, An, Fufei, Gaskey, Bernard, Mueller, Tim, Hall, Anthony Shoji

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A high-throughput infrastructure for density functional theory calculations von Jain, Anubhav, Hautier, Geoffroy, Moore, Charles J., Ping Ong, Shyue, Fischer, Christopher C., Mueller, Tim, Persson, Kristin A., Ceder, Gerbrand

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Low-Overpotential Electroreduction of Carbon Monoxide Using Copper Nanowires von Raciti, David, Cao, Liang, Livi, Kenneth J. T, Rottmann, Paul F, Tang, Xin, Li, Chenyang, Hicks, Zachary, Bowen, Kit H, Hemker, Kevin J, Mueller, Tim, Wang, Chao

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Mechanistic Insights for Low-Overpotential Electroreduction of CO2 to CO on Copper Nanowires von Cao, Liang, Raciti, David, Li, Chenyang, Livi, Kenneth J. T, Rottmann, Paul F, Hemker, Kevin J, Mueller, Tim, Wang, Chao

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A Density Functional Theory Study of Hydrogen Adsorption in MOF-5 von Mueller, Tim, Ceder, Gerbrand

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Improved Prediction of Nanoalloy Structures by the Explicit Inclusion of Adsorbates in Cluster Expansions von Li, Chenyang, Raciti, David, Pu, Tiancheng, Cao, Liang, He, Connie, Wang, Chao, Mueller, Tim

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Machine-learned multi-system surrogate models for materials prediction von Nyshadham, Chandramouli, Rupp, Matthias, Bekker, Brayden, Shapeev, Alexander V., Mueller, Tim, Rosenbrock, Conrad W., Csányi, Gábor, Wingate, David W., Hart, Gus L. W.

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Differential Surface Elemental Distribution Leads to Significantly Enhanced Stability of PtNi-Based ORR Catalysts von Cao, Liang, Zhao, Zipeng, Liu, Zeyan, Gao, Wenpei, Dai, Sheng, Gha, Joonho, Xue, Wang, Sun, Hongtao, Duan, Xiangfeng, Pan, Xiaoqing, Mueller, Tim, Huang, Yu

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Origins of hole traps in hydrogenated nanocrystalline and amorphous silicon revealed through machine learning von Mueller, Tim, Johlin, Eric, Grossman, Jeffrey C.

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A database of low-energy atomically precise nanoclusters von Manna, Sukriti, Wang, Yunzhe, Hernandez, Alberto, Lile, Peter, Liu, Shanping, Mueller, Tim

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Catalytic Activity Maps for Alloy Nanoparticles von Cao, Liang, Mueller, Tim

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