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J. Gregoire · SciRah

Researcher profile · Semantic Scholar

J. Gregoire

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J. Gregoire — researcher profile on SciRah

h-index: 47
Works: 210
Citations: 7,920

Most-cited papers

Inverse Design of Solid-State Materials via a Continuous Representation
Juhwan Noh, Jae-hoon Kim, H. Stein, Benjamín Sánchez-Lengeling +3 more
2019Matter391 citations Open access
Semantic Scholar
Autonomous experimentation systems for materials development: A community perspective
E. Stach, Brian L. DeCost, A. Kusne, J. Hattrick-Simpers +17 more
2021382 citations Open access
Semantic Scholar
Electrochemical Stability of Metastable Materials
Arunima K. Singh, Lan Zhou, A. Shinde, S. Suram +4 more
2017279 citations
Semantic Scholar
Analysis of the limitations in the oxygen reduction activity of transition metal oxide surfaces
Hao Li, S. Kelly, D. Guevarra, Zhen-Bin Wang +8 more
2021Nature Catalysis252 citations
Semantic Scholar
Robust and synthesizable photocatalysts for CO2 reduction: a data-driven materials discovery
Arunima K. Singh, Joseph H. Montoya, J. Gregoire, K. Persson
2019Nature Communications188 citations Open access
Semantic Scholar
Predicting synthesizability
K. Alberi, M. Nardelli, A. Zakutayev, L. Mitas +30 more
2018Journal of Physics D: Applied Physics188 citations Open access
Semantic Scholar
High-throughput, combinatorial synthesis of multimetallic nanoclusters
Yong-Gang Yao, Zhen-Nan Huang, Tang-Yuan Li, Hang Wang +17 more
2020Proceedings of the National Academy of Sciences of the United States of America187 citations Open access
Semantic Scholar
An Operando Investigation of (Ni–Fe–Co–Ce)Ox System as Highly Efficient Electrocatalyst for Oxygen Evolution Reaction
M. Favaro, W. Drisdell, M. Marcus, J. Gregoire +3 more
2017165 citations Open access
Semantic Scholar
Progress and prospects for accelerating materials science with automated and autonomous workflows
H. Stein, J. Gregoire
2019Chemical Science148 citations Open access
Semantic Scholar
Rutile Alloys in the Mn–Sb–O System Stabilize Mn3+ To Enable Oxygen Evolution in Strong Acid
Lan Zhou, A. Shinde, Joseph H. Montoya, Arunima K. Singh +10 more
2018ACS Catalysis127 citations Open access
Semantic Scholar
Autonomous materials synthesis via hierarchical active learning of nonequilibrium phase diagrams
S. Ament, Maximilian Amsler, Duncan R. Sutherland, Ming-Chiang Chang +6 more
2021Science Advances118 citations Open access
Semantic Scholar
The 2022 solar fuels roadmap
G. Segev, J. Kibsgaard, C. Hahn, Zhichuan J. Xu +37 more
2022Journal of Physics D: Applied Physics113 citations Open access
Semantic Scholar
Benchmarking the acceleration of materials discovery by sequential learning
Brian A. Rohr, H. Stein, D. Guevarra, Yu Wang +4 more
2019Chemical Science108 citations Open access
Semantic Scholar
Combinatorial synthesis for AI-driven materials discovery
J. Gregoire, Lan Zhou, J. Haber
2023Nature Synthesis105 citations
Semantic Scholar
Artificial intelligence for materials discovery
C. Gomes, B. Selman, J. Gregoire
2019MRS bulletin105 citations
Semantic Scholar
Analyzing machine learning models to accelerate generation of fundamental materials insights
M. Umehara, H. Stein, D. Guevarra, P. Newhouse +2 more
2019npj Computational Materials81 citations Open access
Semantic Scholar
Bimetallic effects on Zn-Cu electrocatalysts enhance activity and selectivity for the conversion of CO2 to CO
Lei Wang, Hongjie Peng, S. Lamaison, Zhi-Fu Qi +12 more
2021Chem Catalysis79 citations Open access
Semantic Scholar
Automating crystal-structure phase mapping by combining deep learning with constraint reasoning
Di Chen, Yi-Wei Bai, S. Ament, Wenting Zhao +6 more
2021Nature Machine Intelligence72 citations Open access
Semantic Scholar
Hydrodynamics Change Tafel Slopes in Electrochemical CO2 Reduction on Copper
Nicholas B. Watkins, Z. Schiffer, Yung-Chieh Lai, C. Musgrave +5 more
2023ACS Energy Letters71 citations Open access
Semantic Scholar
The case for data science in experimental chemistry: examples and recommendations
J. Yano, K. Gaffney, J. Gregoire, Linda Hung +4 more
2022Nature Reviews Chemistry70 citations
Semantic Scholar
Materials Representation and Transfer Learning for Multi-Property Prediction
Shufeng Kong, D. Guevarra, Carla P. Gomes, J. Gregoire
2021Applied Physics Reviews66 citations Open access
Semantic Scholar
Enabling Modular Autonomous Feedback‐Loops in Materials Science through Hierarchical Experimental Laboratory Automation and Orchestration
F. Rahmanian, John E. Flowers, D. Guevarra, M. Richter +4 more
2021Advanced Materials Interfaces61 citations Open access
Semantic Scholar
Designing a Zn–Ag Catalyst Matrix and Electrolyzer System for CO2 Conversion to CO and Beyond
S. Lamaison, D. Wakerley, Frauke Kracke, Thomas Moore +13 more
2021Advances in Materials52 citations Open access
Semantic Scholar
Tracking materials science data lineage to manage millions of materials experiments and analyses
E. Soedarmadji, H. Stein, S. Suram, D. Guevarra +1 more
2019npj Computational Materials51 citations Open access
Semantic Scholar
CRYSTAL: a multi-agent AI system for automated mapping of materials’ crystal structures
C. Gomes, Junwen Bai, Ye-Xiang Xue, Johan Bjorck +7 more
2019MRS Communications39 citations Open access
Semantic Scholar
Zinc Titanium Nitride Semiconductor toward Durable Photoelectrochemical Applications
Ann L. Greenaway, Sijia Ke, Theodore Culman, K. Talley +12 more
2022Journal of the American Chemical Society35 citations Open access
Semantic Scholar
Breaking Scaling Relationships in CO2 Reduction on Copper Alloys with Organic Additives
Yung-Chieh Lai, N. Watkins, Alonso Rosas-Hernández, Arnaud Thevenon +6 more
2021ACS Central Science35 citations Open access
Semantic Scholar
Fermi Level Engineering of Passivation and Electron Transport Materials for p‐Type CuBi2O4 Employing a High‐Throughput Methodology
Zemin Zhang, Sarah A. Lindley, D. Guevarra, K. Kan +6 more
2020Advanced Functional Materials33 citations Open access
Semantic Scholar
Discovery of complex oxides via automated experiments and data science
Lusann Yang, J. Haber, Zan Armstrong, Samuel J. Yang +9 more
2021Proceedings of the National Academy of Sciences of the United States of America31 citations Open access
Semantic Scholar
Successes and Opportunities for Discovery of Metal Oxide Photoanodes for Solar Fuels Generators
Lan Zhou, A. Shinde, D. Guevarra, J. Haber +3 more
2020ACS Energy Letters30 citations Open access
Semantic Scholar
Multi-component background learning automates signal detection for spectroscopic data
S. Ament, H. Stein, D. Guevarra, Lan Zhou +5 more
2019npj Computational Materials30 citations Open access
Semantic Scholar
Deep Reasoning Networks for Unsupervised Pattern De-mixing with Constraint Reasoning
Di Chen, Yi-Wei Bai, Wenting Zhao, S. Ament +2 more
2020International Conference on Machine Learning29 citations
Semantic Scholar
Deep Reasoning Networks: Thinking Fast and Slow
Di Chen, Yi-Wei Bai, Wenting Zhao, S. Ament +2 more
2019arXiv.org27 citations
Semantic Scholar
Phase Mapper: Accelerating Materials Discovery with AI
Junwen Bai, Ye-Xiang Xue, Johan Bjorck, Ronan Le Bras +6 more
2018The AI Magazine27 citations Open access
Semantic Scholar
Stability and Activity of Cobalt Antimonate for Oxygen Reduction in Strong Acid
Lan Zhou, Hao Li, Yung-Chieh Lai, M. Richter +10 more
2022ACS Energy Letters26 citations Open access
Semantic Scholar
The Materials Research Platform: Defining the Requirements from User Stories
M. Aykol, J. Hummelshøj, Abraham Anapolsky, Koutarou Aoyagi +40 more
2019Matter26 citations Open access
Semantic Scholar
Scanning electrochemical flow cell with online mass spectroscopy for accelerated screening of carbon dioxide reduction electrocatalysts.
Yung-Chieh Lai, Ryan J. R. Jones, Yu Wang, Lan Zhou +1 more
2019ACS Combinatorial Science25 citations Open access
Semantic Scholar
New challenges in oxygen reduction catalysis: a consortium retrospective to inform future research
M. Stevens, Megha Anand, Melissa E. Kreider, E. K. Price +15 more
2022Energy & Environmental Science24 citations Open access
Semantic Scholar
Functional mapping reveals mechanistic clusters for OER catalysis across (Cu–Mn–Ta–Co–Sn–Fe)Ox composition and pH space
H. Stein, D. Guevarra, A. Shinde, Ryan J. R. Jones +2 more
2019Materials Horizons24 citations Open access
Semantic Scholar
Bi-Containing n-FeWO4 Thin Films Provide the Largest Photovoltage and Highest Stability for a Sub-2 eV Band Gap Photoanode
Lan Zhou, A. Shinde, S. Suram, H. Stein +7 more
2018ACS Energy Letters22 citations Open access
Semantic Scholar
Synthesis, optical imaging, and absorption spectroscopy data for 179072 metal oxides
H. Stein, E. Soedarmadji, P. Newhouse, D. Guevarra +1 more
2019Scientific Data21 citations Open access
Semantic Scholar
Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode
P. Newhouse, S. Reyes-Lillo, Guo Li, Lan Zhou +9 more
201721 citations Open access
Semantic Scholar
The materials experiment knowledge graph
Michael J. Statt, Brian A. Rohr, D. Guevarra, Ja’Nya Breeden +2 more
2023Digital Discovery20 citations Open access
Semantic Scholar
Overcoming Hurdles in Oxygen Evolution Catalyst Discovery via Codesign
K.V.Krishna Rao, Yung-Chieh Lai, Lan Zhou, J. Haber +2 more
2022Chemistry of Materials20 citations Open access
Semantic Scholar
Unveiling new stable manganese based photoanode materials via theoretical high-throughput screening and experiments.
Juhwan Noh, Sungwon Kim, G. Gu, A. Shinde +3 more
2019Chemical Communications20 citations Open access
Semantic Scholar
Computational sustainability meets materials science
Carla P. Gomes, Daniel Fink, R. V. van Dover, J. Gregoire
2021Nature Reviews Materials19 citations
Semantic Scholar
Interface engineering for light-driven water oxidation: unravelling the passivating and catalytic mechanism in BiVO4 overlayers
Gui-Ji Liu, J. Eichhorn, Chang-Ming Jiang, M. Scott +5 more
2019Sustainable Energy & Fuels19 citations
Semantic Scholar
Combinatorial alloying improves bismuth vanadate photoanodes via reduced monoclinic distortion
P. Newhouse, D. Guevarra, M. Umehara, S. Reyes-Lillo +7 more
201819 citations Open access
Semantic Scholar
Reactor design and integration with product detection to accelerate screening of electrocatalysts for carbon dioxide reduction.
Ryan J. R. Jones, Yu Wang, Yung-Chieh Lai, A. Shinde +1 more
2018Review of Scientific Instruments17 citations Open access
Semantic Scholar
High Throughput Discovery of Complex Metal Oxide Electrocatalysts for the Oxygen Reduction Reaction
D. Guevarra, J. Haber, Yu Wang, Lan Zhou +3 more
2021Electrocatalysis16 citations
Semantic Scholar

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D. Guevarra×17
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J. Haber×15
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H. Stein×12
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