PUBLICATIONS

19. Autobifunctional Mechanism of Jagged Pt Nanowires for Hydrogen Evolution Kinetics via End-to-End Simulation. Journal of the American Chemical Society, 2021, 143, 5355-5363.

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18. Highly Stable Two-Dimensional Bismuth Metal-organic Frameworks for Efficient Electrochemical Reduction of CO2 . Applied Catalysis B: Environmental, 2020, 277, 119241.

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17. Structure-Based Synthesizability Prediction of Crystals Using Partially Supervised Learning. Journal of the American Chemical Society, 2020, 142, 18836-18843.

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16. Generative Adversarial Networks for Crystal Structure Prediction . ACS Central Science, 2020, 6, 1412-1420.

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15. Machine-enabled inverse design of inorganic solid materials: promises and challenges. Chemical Science, 2020, 11, 4871-4881.

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14. Uncertainty-Quantified Hybrid Machine Learning/Density Functional Theory High Throughput Screening Method for Crystals. Journal of Chemical Information and Modeling, 2020, 60, 1996-2003.

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13. Progress in Computational and Machine-Learning Methods for Heterogeneous Small-Molecule Activation. Advanced Materials, 2020, 32, 1907865.

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12. Practical Deep-Learning Representation for Fast Heterogeneous Catalyst Screening. The Journal of Physical Chemistry Letters, 2020, 11, 3185-3191.

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11. Reduced graphene oxides with engineered defects enable efficient electrochemical reduction of dinitrogen to ammonia in wide pH range. Nano Energy, 2020, 68, 104323.

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10. Unveiling New Stable Manganese based Photoanode Materials via Theoretical High-throughput Screening and Experiments . Chemical Communication, 2019, 65, 13418-13421.

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