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Huang Bing
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Prediction errors of molecular machine learning models lower than hybrid DFT error
FA Faber, L Hutchison, B Huang, J Gilmer, SS Schoenholz, GE Dahl, ...
Journal of chemical theory and computation 13 (11), 5255-5264, 2017
5952017
Pt–Ru catalyzed hydrogen oxidation in alkaline media: oxophilic effect or electronic effect?
Y Wang, G Wang, G Li, B Huang, J Pan, Q Liu, J Han, L Xiao, J Lu, ...
Energy & Environmental Science 8 (1), 177-181, 2015
4792015
Alchemical and structural distribution based representation for universal quantum machine learning
FA Faber, AS Christensen, B Huang, OA Von Lilienfeld
The Journal of chemical physics 148 (24), 2018
3912018
Communication: Understanding molecular representations in machine learning: The role of uniqueness and target similarity
B Huang, OA Von Lilienfeld
The Journal of Chemical Physics 145 (16), 2016
3052016
Pt skin on AuCu intermetallic substrate: A strategy to maximize Pt utilization for fuel cells
G Wang, B Huang, L Xiao, Z Ren, H Chen, D Wang, HD Abruņa, J Lu, ...
Journal of the American chemical Society 136 (27), 9643-9649, 2014
2452014
Quantum machine learning using atom-in-molecule-based fragments selected on the fly
B Huang, OA von Lilienfeld
Nature chemistry 12 (10), 945-951, 2020
192*2020
Ab initio machine learning in chemical compound space
B Huang, OA Von Lilienfeld
Chemical reviews 121 (16), 10001-10036, 2021
1122021
Spatially resolved quantification of the surface reactivity of solid catalysts
B Huang, L Xiao, J Lu, L Zhuang
Angewandte Chemie 128 (21), 6347-6351, 2016
1042016
Boosting quantum machine learning models with a multilevel combination technique: Pople diagrams revisited
P Zaspel, B Huang, H Harbrecht, OA von Lilienfeld
Journal of chemical theory and computation 15 (3), 1546-1559, 2018
902018
QML: A Python toolkit for quantum machine learning
AS Christensen, FA Faber, B Huang, LA Bratholm, A Tkatchenko, ...
URL https://github. com/qmlcode/qml, 2017
892017
AuCu intermetallic nanoparticles: surfactant-free synthesis and novel electrochemistry
G Wang, L Xiao, B Huang, Z Ren, X Tang, L Zhuang, J Lu
Journal of Materials Chemistry 22 (31), 15769-15774, 2012
772012
Pd skin on AuCu intermetallic nanoparticles: A highly active electrocatalyst for oxygen reduction reaction in alkaline media
G Wang, J Guan, L Xiao, B Huang, N Wu, J Lu, L Zhuang
Nano Energy 29, 268-274, 2016
592016
Inhibition effect of surface oxygenated species on ammonia oxidation reaction
W Peng, L Xiao, B Huang, L Zhuang, J Lu
The Journal of Physical Chemistry C 115 (46), 23050-23056, 2011
582011
Exploring polycyclic aromatic hydrocarbons as an anolyte for nonaqueous redox flow batteries
G Wang, B Huang, D Liu, D Zheng, J Harris, J Xue, D Qu
Journal of Materials Chemistry A 6 (27), 13286-13293, 2018
452018
Unraveling the composition-activity relationship of PtRu binary alloy for hydrogen oxidation reaction in alkaline media
G Wang, W Li, N Wu, B Huang, L Xiao, J Lu, L Zhuang
Journal of Power Sources 412, 282-286, 2019
322019
The central role of density functional theory in the AI age
B Huang, GF von Rudorff, OA von Lilienfeld
Science 381 (6654), 170-175, 2023
292023
Highly conjugated poly (N-heteroacene) nanofibers for reversible Na storage with ultra-high capacity and a long cycle life
T Gu, M Zhou, B Huang, M Liu, X Xiong, K Wang, S Cheng, K Jiang
Journal of Materials Chemistry A 6 (38), 18592-18598, 2018
282018
Application of N-Halogeno-N-sodiobenzenesulfonamide Reagents to the Selective Detection of 5-Methylcytosine in DNA Sequences
T Wang, T Hong, T Tang, Q Zhai, X Xing, W Mao, X Zheng, L Xu, J Wu, ...
Journal of the American Chemical Society 135 (4), 1240-1243, 2013
282013
Impact of non-normal error distributions on the benchmarking and ranking of Quantum Machine Learning models
P Pernot, B Huang, A Savin
Machine Learning: Science and Technology 1 (3), 035011, 2020
262020
Advanced Li-organic batteries with super-high capacity and long cycle life via multiple redox reactions
T Gu, M Zhou, B Huang, S Cao, J Wang, Y Tang, K Wang, S Cheng, ...
Chemical Engineering Journal 373, 501-507, 2019
262019
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