Yan Zhang – Computational Materials – Best Researcher Award 

Ms. Yan Zhang began her academic journey in the field of materials science, laying a solid foundation in computational methods and experimental techniques. Her studies focused on advanced concepts in crystal structures and materials characterization, positioning her for a successful research career. Early on, she developed a keen interest in first-principles calculations, a technique that has become essential in modern materials science. This focus has driven her to investigate new materials, particularly bismuth silicate (BSO) crystals, and explore their applications in fields such as optoelectronics and high-energy particle detection.

💼 Professional Endeavors

Ms. Zhang has established herself as a proficient researcher in computational materials science, with a specialization in first-principles calculations. Her work is highly regarded in the scientific community, particularly for its focus on BSO crystals and their potential for applications in dual-readout calorimeters. Her research endeavors are not confined to theoretical studies but also involve practical approaches to optimizing crystal growth processes and investigating doping mechanisms for improving material properties. Ms. Zhang’s collaboration with industry has resulted in valuable insights for the development and industrialization of BSO crystals.

🔬 Contributions and Research Focus

Ms. Zhang's research centers on first-principles calculations applied to BSO crystals doped with Tm3+ ions. Her goal is to enhance the performance of these crystals for use in dual-readout calorimeters, a critical technology in high-energy particle detection. By theoretically analyzing the crystal structure and Mulliken charges, she has provided important insights into the effect of doping on conductivity and bond covalency. Her contributions to optimizing the growth of large-sized BSO crystals, as well as using AI and simulation models to improve growth processes, have paved the way for future industrial applications of these materials in optoelectronics and other advanced technologies.

🌍 Impact and Influence

Ms. Zhang's research has made a significant impact on both the academic and industrial communities. Her work has been highly cited, particularly for its groundbreaking insights into the properties of BSO crystals and their potential for improving high-energy particle detection technologies. Published in Chemical Physics Impact, her findings have received wide recognition from peers in the field. By providing new technical ideas for industries involved in optoelectronics and scintillation detection, her research is expected to contribute to technological advancements and industrial upgrades in these fields.

🏆Academic Cites

Ms. Zhang’s research has garnered substantial attention from the academic community, with her work on first-principles calculations and BSO crystals being frequently cited in journals and conferences. Her publication in Chemical Physics Impact stands out as a key reference for subsequent studies on BSO crystals and their industrial applications. The academic recognition of her work underscores her significant contribution to the field of computational materials science.

🌟 Legacy and Future Contributions

Ms. Zhang is poised to continue her influential work in the field of computational materials science. Her future contributions will likely include further advancements in the application of first-principles calculations to a broader range of materials, including novel scintillators and optoelectronic devices. As she continues to refine the growth processes for large-sized BSO crystals and explore their applications, her research will play a pivotal role in shaping the future of materials science. Her legacy will be defined by her innovative approaches to material optimization and her contributions to both academic research and industrial practices.

📝Computational Materials

Ms. Zhang’s research in computational materials focuses on the use of first-principles calculations to study and improve BSO crystals. Her work contributes to the growing body of knowledge in computational materials science, providing critical insights into crystal structure and doping mechanisms. As the demand for advanced materials like BSO crystals increases, Ms. Zhang’s contributions to computational materials science will continue to influence both theoretical and applied research in this field.

Notable Publication


📝Preparation and surface morphology analysis of near stoichiometric lithium tantalate crystals by the vapour transfer equilibrium method

Authors: J. Si, Jiashun; X. Xiao, Xuefeng; Y. Huang, Yan; C. Yang, Cui; X. Zhang, Xuefeng

Journal: Journal of Crystal Growth

Year: 2025

Citations: 0


📝Crystal structure and Mulliken charge analysis of Gd³⁺-doped bismuth silicate

Authors: Y. Zhang, Yan; X. Xiao, Xuefeng; Y. Huang, Yan; T. Tian, Tian; H. Shen, Hui

Journal: Materialia

Year: 2025

Citations: 1


📝First-Principles Calculations of the Optical Properties of Bi₄Si₃O₁₂: RE (RE = Ho³⁺, Tb³⁺, Eu³⁺, Gd³⁺, Sm³⁺, Tm³⁺) Crystals

Authors: Y. Huang, Yan; X. Xiao, Xuefeng; T. Tian, Tian; H. Shen, Hui

Journal: Crystals

Year: 2025

Citations: 0


📝Highly efficient orange luminescence in Sn²⁺-doped Cs₂AgInCl₆ double perovskite with a large Stokes shift

Authors: J. Guo, Jingrui; J. Guo, Jing; Y. Peng, Yuchen; Y. Liu, Yufeng; Y. Fang, Yongzheng

Journal: Journal of Materials Chemistry C

Year: 2025

Citations: 0


📝Eu³⁺-doped bismuth silicate crystal structure and Mulliken charge analysis

Authors: Y. Zhang, Yan; X. Xiao, Xuefeng; Y. Huang, Yan; T. Tian, Tian; H. Shen, Hui

Journal: Acta Crystallographica Section C: Structural Chemistry

Year: 2024

Citations: 0


📝Study on the optical properties of Sm³⁺ doped bismuth silicate crystals based on first principles

Authors: Y. Huang, Yan; X. Xiao, Xuefeng; Y. Zhang, Yan; T. Tian, Tian; H. Shen, Hui

Journal: Materials Research Express

Year: 2024

Citations: 1