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RESEARCH PAPER · Advanced Materials · 2024

The Case for a Defect Genome Initiative

Qimin Yan, Swastik Kar, Sugata Chowdhury, Arun Bansil

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

Open in your workspace →Saved 2026-10-14 · complete coverage
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42 direct citing works

The Case for a Defect Genome InitiativeOriginalCutting Edge High‐Throughput Synthesis and Characterization Techniques in Combinatorial Materials Science19Simulating charged defects at database scale12Machine-learning structural reconstructions for accelerated point defect calculations47Application of artificial intelligence in the materials science, with a special focus on fuel cells and electrolyzers78Atomate2: modular workflows for materials science43Single photon emitters in van der Waals solids for quantum photonics: materials, theory and molecular-scale characterization probes3Leveraging Persistent Homology Features for Accurate Defect Formation Energy Predictions via Graph Neural Networks25Luminescence From Localized States in Solids: A First‐Principles Perspective27What Is the Role of a Magnetic Mo Antisite Defect on Carrier Relaxation and Spin Dynamics in 2-D MoS2?7Defected elastic metasurfaces for structured focusing with the extension of Babinet principle3Magnetic brightening and its dynamics of defect-localized exciton emission in monolayer two-dimensional semiconductor10The augmented potential method: Multiscale modeling toward a spectral defect genome5Approximate excited-state potential energy surfaces for defects in solids5From human genome to materials genome0A critical review on electronic materials properties and multifunctional applications5Applications of artificial intelligence in heat and mass transfer-based flow computations and materials processing0Guidelines for robust and reproducible point defect simulations in crystals16Bonding Character as a Descriptor for Huang–Rhys Factors in Optically Active Defects0Functionally graded materials: Development, processing techniques, and emerging applications-A comprehensive review7Accelerating point-defect simulations using data-driven and machine learning approaches2Atomic-level defect engineering: From fundamental mechanisms to applications in energy materials0Accelerated Deep Atomic Potential Transformer for long-range machine learning force fields without graphs0Vacancy-driven reversal of layer-dependent friction in two-dimensional MoSe 20

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23 direct citing papers saved.

  1. Cutting Edge High‐Throughput Synthesis and Characterization Techniques in Combinatorial Materials Science

    Advanced Materials Technologies · 2024-03-08

    Chao Tan, Haijuan Wu, Lei Yang, Zegao Wang

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  2. Simulating charged defects at database scale

    Journal of Applied Physics · 2024-04-10

    Jimmy‐Xuan Shen, Lars F. Voss, Joel Basile Varley

    Read original paper ↗ ·

  3. Machine-learning structural reconstructions for accelerated point defect calculations

    npj Computational Materials · 2024-06-06

    Irea Mosquera‐Lois, Seán R. Kavanagh, Alex M. Ganose, Aron Walsh

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  4. Application of artificial intelligence in the materials science, with a special focus on fuel cells and electrolyzers

    Energy and AI · 2024-09-17

    Mariah Batool, Oluwafemi Joseph Sanumi, Jasna Janković

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  5. Atomate2: modular workflows for materials science

    Digital Discovery · 2025-01-01

    Alex M. Ganose, Hrushikesh P. Sahasrabuddhe, Mark Asta, Kevin Beck, Tathagata Biswas, Alexander Bonkowski, Joana Bustamante, Xin Chen, Yuan Chiang, D. C. Chrzan, Jacob M. Clary, Orion Cohen, Christina Ertural, Max C. Gallant, Janine George, Sophie Gerits, Rhys E. A. Goodall, Rishabh D. Guha, Geoffroy Hautier, Matthew K. Horton, Théo Jaffrelot Inizan, Aaron D. Kaplan, Ryan Kingsbury, Matthew C. Kuner, Bryant Y. Li, Xavier Linn, Matthew J. McDermott, Rohith Srinivaas Mohanakrishnan, Aakash Ashok Naik, Jeffrey B. Neaton, Shehan M. Parmar, Kristin Aslaug Persson, Guido Petretto, Thomas A. R. Purcell, Francesco Ricci, Benjamin Rich, Janosh Riebesell, Gian‐Marco Rignanese, Andrew Rosen, Matthias Scheffler, Jonathan Schmidt, Jimmy‐Xuan Shen, Andrei Sobolev, Ravishankar Sundararaman, Cooper R. Tezak, Victor Trinquet, Joel Basile Varley, Derek Vigil‐Fowler, Duo Wang, David Waroquiers, Mingjian Wen, Han Yang, Hui Zheng, Jiongzhi Zheng, Zhuoying Zhu, Anubhav Jain

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  6. Single photon emitters in van der Waals solids for quantum photonics: materials, theory and molecular-scale characterization probes

    Journal of Physics D Applied Physics · 2025-01-29

    Anupama B. Kaul, Yuanxi Wang, An‐Ping Li, Xinxin Li, Xuedan Ma

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  7. Leveraging Persistent Homology Features for Accurate Defect Formation Energy Predictions via Graph Neural Networks

    Chemistry of Materials · 2025-02-06

    Zhenyao Fang, Qimin Yan

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  8. Luminescence From Localized States in Solids: A First‐Principles Perspective

    Advanced Functional Materials · 2025-03-03

    Zewei Li, Jiahao Xie, Muhammad Faizan, Shengqiao Wang, Xiankai Chen, Lijun Zhang

    Read original paper ↗ ·

  9. What Is the Role of a Magnetic Mo Antisite Defect on Carrier Relaxation and Spin Dynamics in 2-D MoS2?

    Nano Letters · 2025-04-23

    Chengan Lei, Zhao Qian, Yandong Ma, Rajeev Ahuja

    Read original paper ↗ ·

  10. Defected elastic metasurfaces for structured focusing with the extension of Babinet principle

    Extreme Mechanics Letters · 2025-06-03

    Yun Shi, Jiali Cheng, Guangyuan Su, Meiying Zhao, Yongquan Liu, Bing Li

    Read original paper ↗ ·

  11. Magnetic brightening and its dynamics of defect-localized exciton emission in monolayer two-dimensional semiconductor

    Science Advances · 2025-06-06

    Yubei Xiang, Keisuke Shinokita, Kenji Watanabe, Takashi Taniguchi, Kazunari Matsuda

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  12. The augmented potential method: Multiscale modeling toward a spectral defect genome

    Scripta Materialia · 2025-09-10

    Nutth Tuchinda, Changle Li, Christopher Allan Schuh

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  13. Approximate excited-state potential energy surfaces for defects in solids

    Physical review. B./Physical review. B · 2025-10-14

    Mark E. Turiansky, John L. Lyons

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  14. From human genome to materials genome

    Elsevier eBooks · 2025-12-05

    Hossein Madineh, Raha Zarrintaj, Ali Samadi, Payam Zarrintaj, Saeid SamadiDana

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  15. A critical review on electronic materials properties and multifunctional applications

    Discover Materials · 2025-12-26

    Wubshet Getachew Mengesha, Kaveer Nagessar

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  16. Applications of artificial intelligence in heat and mass transfer-based flow computations and materials processing

    Elsevier eBooks · 2026-01-01

    Ramzi Khiari, Raghuvir Pai

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  17. Guidelines for robust and reproducible point defect simulations in crystals

    Nature Reviews Materials · 2026-01-19

    Alexander G. Squires, Seán R. Kavanagh, Aron Walsh, David O. Scanlon

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  18. Bonding Character as a Descriptor for Huang–Rhys Factors in Optically Active Defects

    The Journal of Physical Chemistry Letters · 2026-02-19

    Fatimah Habis, Yuanxi Wang

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  19. Functionally graded materials: Development, processing techniques, and emerging applications-A comprehensive review

    Materials Today Communications · 2026-03-01

    Nityananda Sahoo, Arka Ghosh, Aseef Khan, Bankim Chandra Ray, Parth Patel, Bappa Das, Sarthak Prasad Sahoo, Pratyush Ranjan, Pankaj Shrivastava, Velaphi Msomi

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  20. Accelerating point-defect simulations using data-driven and machine learning approaches

    MRS Bulletin · 2026-05-01

    Arun Mannodi‐Kanakkithodi, Menglin Huang, Prashun Gorai, Seán R. Kavanagh

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  21. Atomic-level defect engineering: From fundamental mechanisms to applications in energy materials

    Review of Materials Research · 2026-06-01

    Ting Yi Lin, Valentina A. Bocharova, Lin Gu

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  22. Accelerated Deep Atomic Potential Transformer for long-range machine learning force fields without graphs

    Physical Review Research · 2026-07-21

    Anonymous, Yizhi Zhu, Yihuang Xiong, Geoffroy Hautier, Thomas Reps, Christopher Jermaine, Anastasios Kyrillidis

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  23. Vacancy-driven reversal of layer-dependent friction in two-dimensional MoSe 2

    Physical review. B./Physical review. B · 2026-09-18

    Anonymous, Xin Wang, Tongtong Yu, Xinjian He, Shuang Li, Pengfei Liu, Changhe Du, Daoai Wang

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