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RESEARCH PAPER · Chemistry of Materials · 2022

Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning

Zhi Li, Philip W. Nega, Mansoor Ani Najeeb, Chaochao Dun, Mat­thias Zeller, Jeffrey J. Urban, Wissam Abdo Saidi, Joshua Schrier, Alexander J. Norquist, Emory M. Chan

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Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active LearningOriginalActive meta-learning for predicting and selecting perovskite crystallization experiments24Quantitative Predictions of Moisture-Driven Photoemission Dynamics in Metal Halide Perovskites via Machine Learning30Spatiotemporal Route to Understanding Metal Halide Perovskitoid Crystallization7Serendipity based recommender system for perovskites material discovery: balancing exploration and exploitation across multiple models7Serendipity based recommender system for perovskites material discovery: balancing exploration and exploitation across multiple models5Principled Exploration of Bipyridine and Terpyridine Additives to Promote Methylammonium Lead Iodide Perovskite Crystallization13Recent Developments in Process Digitalisation for Advanced Nanomaterial Syntheses11Challenges, Opportunities, and Prospects in Metal Halide Perovskites from Theoretical and Machine Learning Perspectives53(C4H10NO)PbX3 (X = Cl, Br): Design of Two Lead Halide Perovskite Crystals with Moderate Nonlinear Optical Properties35Artificial Intelligence and Advanced Materials117Structurally Dimensional Engineering in Perovskite Photovoltaics103Olympus, enhanced: benchmarking mixed-parameter and multi-objective optimization in chemistry and materials science9The role of machine learning in perovskite solar cell research42Hybrid metal halide perovskite magic-sized clusters, what’s next?4Accelerating the Design of Multishell Upconverting Nanoparticles through Bayesian Optimization37Dimensional Regulation from 1D/3D to 2D/3D of Perovskite Interfaces for Stable Inverted Perovskite Solar Cells130Active Learning of Ligands That Enhance Perovskite Nanocrystal Luminescence18Self-driving AMADAP laboratory: Accelerating the discovery and optimization of emerging perovskite photovoltaics16Accelerating the Discovery of Abiotic Vesicles with AI-Guided Automated Experimentation3Emerging strategies for inkjet-printed perovskite quantum dots in high-performance LED displays12Unraveling the myths and mysteries of photon avalanching nanoparticles16How to accelerate the inorganic materials synthesis: from computational guidelines to data-driven method?9Multi-Model Deep Learning Framework for Defect Detection in Mixed-Dimensionality FAPbI₃ Perovskite Films0Synthesis, Crystal Structure, and Optical Properties of Two Lead Iodide Hybrid Compounds Based on the 4‐(Ammonioethyl)‐Tetrahydropyran Cation1Synthesis, phase transition, and band gap analysis of MorpH3PbI5 perovskite2Local Symmetry Breaking and Hidden Spin Polarization in 2D Hybrid Perovskites with Nonprimary Ammonium Cations14Machine Learning Unlocks New Directions in Halide Perovskite Research6Automated Nanocrystal Synthesis: Lessons from 25 Years of Robots, Microfluidics, and Machine Learning7Artificial Intelligence for Perovskite Additive Engineering: From Molecular Screening to Autonomous Discovery1Active Learning‐Guided Polymorph Control in Co‐Precipitation Synthesis1Leveling Up Upconverting Nanoparticles with Machine Learning4Curated Data Set, Structure–Property Relationships, and Machine Learning Prediction of Band Gaps for One-Dimensional Bismuth(III) and Antimony(III) Halides0

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  1. Active meta-learning for predicting and selecting perovskite crystallization experiments

    The Journal of Chemical Physics · 2022-01-23

    Venkateswaran Shekar, Gareth Nicholas, Mansoor Ani Najeeb, Margaret Zeile, Vincent Yu, Xiaorong Wang, Dylan Slack, Zhi Li, Philip W. Nega, Emory M. Chan, Alexander J. Norquist, Joshua Schrier, Sorelle A. Friedler

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  2. Quantitative Predictions of Moisture-Driven Photoemission Dynamics in Metal Halide Perovskites via Machine Learning

    The Journal of Physical Chemistry Letters · 2022-03-03

    John M. Howard, Qiong Wang, Meghna Srivastava, Tao Gong, Erica Lee, Antonio Abate, Marina S. Leite

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  3. Spatiotemporal Route to Understanding Metal Halide Perovskitoid Crystallization

    Chemistry of Materials · 2022-06-07

    Mansoor Ani Najeeb, Rodolfo Keesey, Margaret Zeile, Venkateswaran Shekar, Zhi Li, Nicholas Leiby, Mat­thias Zeller, Emory M. Chan, Joshua Schrier, Alexander J. Norquist

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  4. Serendipity based recommender system for perovskites material discovery: balancing exploration and exploitation across multiple models

    ChemRxiv · 2022-07-19

    Venkateswaran Shekar, Vincent Yu, Benjamin J. Garcia, David Benjamin Gordon, Gemma E. Moran, David M. Blei, Loı̈c M. Roch, Alberto García-Durán, Mansoor Ani Najeeb, Margaret Zeile, Philip W. Nega, Zhi Li, Mina A. Kim, Emory M. Chan, Alexander J. Norquist, Sorelle A. Friedler, Joshua Schrier

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  5. Serendipity based recommender system for perovskites material discovery: balancing exploration and exploitation across multiple models

    ChemRxiv · 2022-07-20

    Venkateswaran Shekar, Vincent Yu, Benjamin J. Garcia, David Benjamin Gordon, Gemma E. Moran, David M. Blei, Loı̈c M. Roch, Alberto García-Durán, Mansoor Ani Najeeb, Margaret Zeile, Philip W. Nega, Zhi Li, Mina A. Kim, Emory M. Chan, Alexander J. Norquist, Sorelle A. Friedler, Joshua Schrier

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  6. Principled Exploration of Bipyridine and Terpyridine Additives to Promote Methylammonium Lead Iodide Perovskite Crystallization

    Crystal Growth & Design · 2022-08-01

    Noor Titan Putri Hartono, Mansoor Ani Najeeb, Zhi Li, Philip W. Nega, Clare A. Fleming, Xiaohe Sun, Emory M. Chan, Antonio Abate, Alexander J. Norquist, Joshua Schrier, Tonio Buonassisi

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  7. Recent Developments in Process Digitalisation for Advanced Nanomaterial Syntheses

    Chemistry - Methods · 2022-09-30

    Diego Iglesias, Dina A Haddad, Víctor Sans

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  8. Challenges, Opportunities, and Prospects in Metal Halide Perovskites from Theoretical and Machine Learning Perspectives

    Advanced Energy Materials · 2022-10-06

    Chang Woo Myung, Amir Hajibabaei, Ji‐Hyun Cha, Miran Ha, Junu Kim, Kwang S. Kim

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  9. (C4H10NO)PbX3 (X = Cl, Br): Design of Two Lead Halide Perovskite Crystals with Moderate Nonlinear Optical Properties

    Inorganic Chemistry · 2022-10-07

    Chuanying Shen, Defu Sun, Yangyang Dang, Kui Wu, Tianxiang Xu, Ruoxian Hou, Hanzhang Chen, Jiyang Wang, Duanliang Wang

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  10. Artificial Intelligence and Advanced Materials

    Advanced Materials · 2022-12-23

    Cefe López

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  11. Structurally Dimensional Engineering in Perovskite Photovoltaics

    Advanced Energy Materials · 2023-05-04

    Yulin Liu, Songyang Yuan, Huiqun Zheng, Min Wu, Shiting Zhang, Jing Lan, Wenzhe Li, Jiandong Fan

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  12. Olympus, enhanced: benchmarking mixed-parameter and multi-objective optimization in chemistry and materials science

    ChemRxiv · 2023-05-17

    Riley J. Hickman, Priyansh Parakh, Austin Cheng, Qianxiang Ai, Joshua Schrier, Matteo Aldeghi, Alán Aspuru‐Guzik

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  13. The role of machine learning in perovskite solar cell research

    Journal of Alloys and Compounds · 2023-06-01

    Chen Chen, Ayman Maqsood, T. Jesper Jacobsson

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  14. Hybrid metal halide perovskite magic-sized clusters, what’s next?

    Next Materials · 2023-07-06

    Ke Xu, Kunfeng Chen, Dongfeng Xue

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  15. Accelerating the Design of Multishell Upconverting Nanoparticles through Bayesian Optimization

    Nano Letters · 2023-12-01

    Xiaojing Xia, Eric Sivonxay, Brett A. Helms, Samuel M. Blau, Emory M. Chan

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  16. Dimensional Regulation from 1D/3D to 2D/3D of Perovskite Interfaces for Stable Inverted Perovskite Solar Cells

    Journal of the American Chemical Society · 2024-03-08

    Ting Wang, Leyu Bi, Yang Liu, Zixin Zeng, Xiaofei Ji, Ziyang Hu, Sai‐Wing Tsang, Hin‐Lap Yip, Qiang Fu, Alex K.‐Y. Jen, Yongsheng Liu

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  17. Active Learning of Ligands That Enhance Perovskite Nanocrystal Luminescence

    ACS Nano · 2024-05-22

    Min A Kim, Qianxiang Ai, Alexander J. Norquist, Joshua Schrier, Emory M. Chan

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  18. Self-driving AMADAP laboratory: Accelerating the discovery and optimization of emerging perovskite photovoltaics

    MRS Bulletin · 2024-12-01

    Jiyun Zhang, Jianchang Wu, Oleksandr L. Stroyuk, Oleksandra Raievska, Larry Lüer, Jens Hauch, Christoph Josef Brabec

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  19. Accelerating the Discovery of Abiotic Vesicles with AI-Guided Automated Experimentation

    Langmuir · 2024-12-30

    M. C. Ekosso, Hao Liu, Avery Glagovich, Dustin Nguyen, Sarah Maurer, Joshua Schrier

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  20. Emerging strategies for inkjet-printed perovskite quantum dots in high-performance LED displays

    Materials Horizons · 2025-01-01

    Loan Thi Ngo, Yen-Huei Lin, Ru‐Shi Liu

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  21. Unraveling the myths and mysteries of photon avalanching nanoparticles

    Materials Horizons · 2025-01-01

    Artiom Skripka, Emory M. Chan

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  22. How to accelerate the inorganic materials synthesis: from computational guidelines to data-driven method?

    National Science Review · 2025-02-27

    Yilei Wu, Xiangyang Li, Rong Guo, Rui Xu, Ming‐Gang Ju, Jinlan Wang

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  23. Multi-Model Deep Learning Framework for Defect Detection in Mixed-Dimensionality FAPbI₃ Perovskite Films

    International Journal of Advanced Research in Science Communication and Technology · 2025-06-14

    Ashray Saini, Rishabh Sahani

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  24. Synthesis, Crystal Structure, and Optical Properties of Two Lead Iodide Hybrid Compounds Based on the 4‐(Ammonioethyl)‐Tetrahydropyran Cation

    Zeitschrift für anorganische und allgemeine Chemie · 2025-07-07

    Yang Meng, Xinqi Wang, Johanna Heine

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  25. Synthesis, phase transition, and band gap analysis of MorpH3PbI5 perovskite

    Journal of Solid State Chemistry · 2025-07-15

    Gabriela S. Anaya González, Adrián Gallardo Loya, Eduardo Vázquez Aguilar, Marcos Flores-Álamo, Lorena Martínez‐dlCruz, Margarita Romero, Diego Solís-Ibarra, Nancy E. Magaña-Vergara, Norberto Farfán, Jesús Rodríguez‐Romero

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  26. Local Symmetry Breaking and Hidden Spin Polarization in 2D Hybrid Perovskites with Nonprimary Ammonium Cations

    Journal of the American Chemical Society · 2025-08-14

    Rayan Chakraborty, David B. Mitzi

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  27. Machine Learning Unlocks New Directions in Halide Perovskite Research

    ChemElectroChem · 2025-12-10

    Hyejin Choe, Heesung Yoon, Inhyang Kim, Soo Young Kim

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  28. Automated Nanocrystal Synthesis: Lessons from 25 Years of Robots, Microfluidics, and Machine Learning

    Nano Letters · 2025-12-23

    Emory M. Chan

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  29. Artificial Intelligence for Perovskite Additive Engineering: From Molecular Screening to Autonomous Discovery

    Molecules · 2026-01-27

    Xin-De Wang, Zhi-Rui Chen, Wen-Kao Li, Peng‐Jie Guo, Cheng Mu, Ze-Feng Gao, Zhong-Yi Lu

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  30. Active Learning‐Guided Polymorph Control in Co‐Precipitation Synthesis

    Small Methods · 2026-03-19

    Tong Gang Zhao, Yan Zeng

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  31. Leveling Up Upconverting Nanoparticles with Machine Learning

    Accounts of Chemical Research · 2026-05-26

    Ripeng Luo, Jungmin Hamm, Emory M. Chan

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  32. Curated Data Set, Structure–Property Relationships, and Machine Learning Prediction of Band Gaps for One-Dimensional Bismuth(III) and Antimony(III) Halides

    Chemistry of Materials · 2026-05-27

    Andrei V. Bykov, Аndrei V. Shevelkov

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