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RESEARCH PAPER · Chemistry of Materials · 2021

Predicting the Outcomes of Material Syntheses with Deep Learning

Shreshth A. Malik, Rhys E. A. Goodall, Alpha A. Lee

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13 direct citing papers in this saved network. Explore the next layer with second-order citations.

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Predicting the Outcomes of Material Syntheses with Deep LearningOriginalRational Solid-State Synthesis Routes for Inorganic Materials115Graph neural networks for materials science and chemistry860Materials synthesizability and stability prediction using a semi-supervised teacher-student dual neural network22Retrosynthesis from transforms to predictive sustainable chemistry and nanotechnology: a brief tutorial review19Interpretable Machine Learning Enabled Inorganic Reaction Classification and Synthesis Condition Prediction41Novelty Detection in the Design of Synthesis of Energy Storage Materials: a Case Study of Garnet-Structured Solid Electrolytes1Novelty detection in the design of synthesis of garnet-structured solid electrolytes6Data-driven analysis of text-mined seed-mediated syntheses of gold nanoparticles12Solid-state synthesizability predictions using positive-unlabeled learning from human-curated literature data8Language Models Enable Data-Augmented Synthesis Planning for Inorganic Materials8Text-mined dataset of solid-state syntheses with impurity phases using Large Language Model6Roadmap for High‐Throughput Ceramic Materials Synthesis and Discovery for Batteries1Enhanced Generalization through Atomic Embeddings and Cross-Element Parameterization0

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  1. Rational Solid-State Synthesis Routes for Inorganic Materials

    Journal of the American Chemical Society · 2021-06-11

    Muratahan Aykol, Joseph H. Montoya, Jens S. Hummelshøj

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  2. Graph neural networks for materials science and chemistry

    Communications Materials · 2022-11-26

    Patrick Reiser, Marlen Neubert, André Eberhard, Luca Torresi, Chen Zhou, Chen Shao, Houssam Metni, Clint van Hoesel, Henrik Schopmans, Timo Sommer, Pascal Friederich

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  3. Materials synthesizability and stability prediction using a semi-supervised teacher-student dual neural network

    Digital Discovery · 2023-01-01

    Daniel Gleaves, Nihang Fu, Edirisuriya M. Dilanga Siriwardane, Yong Zhao, Jianjun Hu

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  4. Retrosynthesis from transforms to predictive sustainable chemistry and nanotechnology: a brief tutorial review

    Green Chemistry · 2023-01-01

    Alicja Mikołajczyk, Uladzislau Zhdan, Sylvain Antoniotti, Adam Smoliński, Karolina Jagiełło, Piotr Skurski, Moussab Harb, Tomasz Puzyn, Jarosław Polański

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  5. Interpretable Machine Learning Enabled Inorganic Reaction Classification and Synthesis Condition Prediction

    Chemistry of Materials · 2023-01-27

    Christopher J. Karpovich, Elton Pan, Zach Jensen, Elsa Olivetti

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  6. Novelty Detection in the Design of Synthesis of Energy Storage Materials: a Case Study of Garnet-Structured Solid Electrolytes

    ChemRxiv · 2024-01-09

    Natalia V. Kireeva, Aslan Yu. Tsivadze

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  7. Novelty detection in the design of synthesis of garnet-structured solid electrolytes

    Journal of Solid State Chemistry · 2024-03-21

    Natalia V. Kireeva, Aslan Yu. Tsivadze

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  8. Data-driven analysis of text-mined seed-mediated syntheses of gold nanoparticles

    Digital Discovery · 2024-11-22

    Sanghoon Lee, Kevin Cruse, Samuel P. Gleason, A. Paul Alivisatos, Gerbrand Ceder, Anubhav Jain

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  9. Solid-state synthesizability predictions using positive-unlabeled learning from human-curated literature data

    Digital Discovery · 2025-01-01

    Vincent Chung, Aron Walsh, David J. Payne

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  10. Language Models Enable Data-Augmented Synthesis Planning for Inorganic Materials

    ACS Applied Materials & Interfaces · 2025-11-26

    Thorben Prein, Elton Pan, Janik Jehkul, Steffen Weinmann, Elsa Olivetti, Jennifer L. M. Rupp

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  11. Text-mined dataset of solid-state syntheses with impurity phases using Large Language Model

    Scientific Data · 2025-12-16

    Sanghoon Lee, Kevin Cruse, Viktoriia Baibakova, Gerbrand Ceder, Anubhav Jain

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  12. Roadmap for High‐Throughput Ceramic Materials Synthesis and Discovery for Batteries

    Advanced Energy Materials · 2026-03-25

    Jesse J. Hinricher, Katarzyna P. Sokol, Philipp Simons, Kun Joong Kim, Michael Foshey, Yunsheng Tian, Thorben Prein, Lincoln J. Miara, Elsa Olivetti, Wojciech Matusik, Jennifer L. M. Rupp

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  13. Enhanced Generalization through Atomic Embeddings and Cross-Element Parameterization

    Journal of Chemical Information and Modeling · 2026-10-02

    Mina Taleblou, Franco Pellegrini, Stefano de Gironcoli

    Read original paper ↗ ·
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