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RESEARCH PAPER · Advanced Optical Materials · 2025

Accelerating Discovery of Infrared Nonlinear Optical Materials with High Lattice Thermal Conductivity: Combining Machine Learning and First‐Principles Calculations

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Accelerating Discovery of Infrared Nonlinear Optical Materials with High Lattice Thermal Conductivity: Combining Machine Learning and First‐Principles CalculationsOriginalAccelerating the discovery of high-performance nonlinear optical materials using active learning and high-throughput screening11AI4NLO: An Integrated Data Platform for Machine Learning-Driven Exploration of Inorganic Nonlinear Optical Materials8Raman Spectra and Thermal Conductivity of TiAlB, VAlB, CrAlB: An Ab Initio Study1Navigating the Landscape of Next-Generation Nonlinear Optical Materials Discovery: Opportunities and Challenges Driven by Artificial Intelligence4NLO-based nitrobenzene sensing using defective BN nanosheets: a DFT study1Effect of Sugarcane/Al 2 O 3 /TiO 2 Reinforcement on Thermal Conductivity of Epoxy Hybrid Composites Using Parallel GA-PSO Modeling Evaluation3Application of Density Functional Theory for the Calculation of the Non‐Linear Optical Properties of Materials: A Comprehensive Review0Drawing-induced improvement of amplification in bismuth-doped phosphosilicate fibers0Giant Birefringence and Ultrahigh Thermal Conductivity in Layered MgMoN 20Machine Learning for Second‐ and Third‐Harmonic Generation: Benchmarks, Challenges, and a Roadmap for Data‐Driven Photonic Materials0

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  1. Accelerating the discovery of high-performance nonlinear optical materials using active learning and high-throughput screening

    Journal of Materials Chemistry C · 2025-01-01

    Victor Trinquet, Matthew L. Evans, Gian‐Marco Rignanese

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  2. AI4NLO: An Integrated Data Platform for Machine Learning-Driven Exploration of Inorganic Nonlinear Optical Materials

    Communications in Computational Chemistry · 2025-04-16

    Zhaoxi Yu, Shubo Zhang, Ding Peng, Zhan-Yun Zhang, Yue Chen, Lin Fang Shen

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  3. Raman Spectra and Thermal Conductivity of TiAlB, VAlB, CrAlB: An Ab Initio Study

    ACS Omega · 2025-11-26

    Shengzhao Wang, Lanli Chen, Jin-Fan Song

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  4. Navigating the Landscape of Next-Generation Nonlinear Optical Materials Discovery: Opportunities and Challenges Driven by Artificial Intelligence

    Accounts of Materials Research · 2025-12-30

    Ran An, Dongdong Chu, Congwei Xie, Shilie Pan, Zhihua Yang

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  5. NLO-based nitrobenzene sensing using defective BN nanosheets: a DFT study

    Physical Chemistry Chemical Physics · 2026-01-01

    Maryam Souri

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  6. Effect of Sugarcane/Al 2 O 3 /TiO 2 Reinforcement on Thermal Conductivity of Epoxy Hybrid Composites Using Parallel GA-PSO Modeling Evaluation

    Journal of Natural Fibers · 2026-02-12

    Mohit Hemanth Kumar, Sourabh Mandol, Babu Vishwanath Hemanth Kumar, Vamsi Krishna V V, Girish B M, Sanjay Mavinkere Rangappa, Suchart Siengchin, Vishnu Vijay Kumar

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  7. Application of Density Functional Theory for the Calculation of the Non‐Linear Optical Properties of Materials: A Comprehensive Review

    Macromolecular Symposia · 2026-03-19

    Parag Agarwal, Anuj Kumar

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  8. Drawing-induced improvement of amplification in bismuth-doped phosphosilicate fibers

    Optics Letters · 2026-05-06

    Anees Mehaboob Cheriyathu Valappil, J. Lefebvre, Thomas Meyneng, Saber Jalilpiran, Philippe Labranche, Shuqing Lin, Sophie LaRochelle, Younès Messaddeq

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  9. Giant Birefringence and Ultrahigh Thermal Conductivity in Layered MgMoN 2

    Crystal Growth & Design · 2026-06-22

    Xu Liu, Ailijiang Abudurusuli, Zhaofeng Wu, Junben Huang

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  10. Machine Learning for Second‐ and Third‐Harmonic Generation: Benchmarks, Challenges, and a Roadmap for Data‐Driven Photonic Materials

    Advanced Theory and Simulations · 2026-08-01

    Masoumeh Shokati Mojdehi, Ramin Khezri

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