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RESEARCH PAPER · Journal of Experimental and Theoretical Physics Letters · 2025

Computational Identification of Four Promising Nonlinear Optical Materials for Near and Middle Ultraviolet Operation

Y. Alkabakibi, D. D. Barma, Dmitry V. Rybkovskiy, Abudukadi Tudi, Congwei Xie, Артем Ромаевич Оганов

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Computational Identification of Four Promising Nonlinear Optical Materials for Near and Middle Ultraviolet OperationOriginalAccelerating the discovery of high-performance nonlinear optical materials using active learning and high-throughput screening11Closer-to-experiment DFT simulation of linear and nonlinear optical properties of MeB4O7 crystals (Me = Sr, Pb, Sn)3Symmetry‐Aware Equivariant Network for Discovering SHG‐Active Materials5Spatially selective enhancement of random quasi phase matched conversion in strontium tetraborate1Effects of pressure on structural, electronic and optical properties of noncentrosymmetric monoclinic Na3Sr(PO4)(CO3) with discrete [PO4] and [CO3] units0Computational prediction of promising deep-UV nonlinear optical borate fluorides SrBO2F and BaBO2F0

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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. Closer-to-experiment DFT simulation of linear and nonlinear optical properties of MeB4O7 crystals (Me = Sr, Pb, Sn)

    Computational Materials Science · 2025-10-09

    S. N. Krylova, Aleksandr S. Aleksandrovsky

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  3. Symmetry‐Aware Equivariant Network for Discovering SHG‐Active Materials

    Advanced Functional Materials · 2025-11-20

    Liudmila A. Klimova, Ivan S. Trofimov, Wenqi Jin, Qi Song, Aleksey V. Arsenin, Congwei Xie, Ivan A. Kruglov, Valentyn S. Volkov

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  4. Spatially selective enhancement of random quasi phase matched conversion in strontium tetraborate

    Optics Communications · 2025-12-25

    Rashid G. Bikbaev, Ivan V. Timofeev, Aleksandr S. Aleksandrovsky

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  5. Effects of pressure on structural, electronic and optical properties of noncentrosymmetric monoclinic Na3Sr(PO4)(CO3) with discrete [PO4] and [CO3] units

    Applied Physics A · 2026-01-01

    Yu. N. Zhuravlev, Victor Atuchin

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  6. Computational prediction of promising deep-UV nonlinear optical borate fluorides SrBO2F and BaBO2F

    Computational Condensed Matter · 2026-08-06

    Daria D. Barma, Andrey S. Obrubov, Abudukadi Tudi, Zhihua Yang, Anastasiia A. Mikhailova, Dmitry V. Rybkovskiy, Артем Ромаевич Оганов

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