Mr. Yang Liu | First Principles Calculations | Best Researcher Award

Saint Petersburg State University, Russia

Profiles:

• Orcid Profile
• Google Scholar Profile

🌟 Current Position

Yang Liu is a dedicated master’s student at St. Petersburg State University, specializing in Applied Mathematics under the supervision of Associate Professor Andreeva Tatiana Anatolyevna. Since November 2023, Yang has also been contributing as a research assistant, focusing on integrating machine learning techniques to accelerate the prediction of stable materials, reflecting his commitment to bridging computational tools with material science innovation.

📜 Publication Achievements

Yang Liu’s academic journey includes remarkable contributions to the field of material science, especially through his bachelor’s thesis titled, “Electronic Structure and Optical Properties of CdS/BiOI Heterojunction Improved by Oxygen Vacancies.” While the details of his published works are currently unlisted, his involvement in Density Functional Theory (DFT) calculations and the simulation of electronic and optical properties demonstrates his potential for impactful publications in peer-reviewed journals.

🔬 Ongoing Research

Yang’s ongoing research is centered on utilizing machine learning algorithms to predict the stability and properties of new materials, an area that blends computational mathematics with cutting-edge material science. His work aims to optimize computational techniques like VASP (Vienna Ab initio Simulation Package) to study material behaviors, focusing on parameters such as band structures, density of states (DOS), and mechanical properties like Young’s modulus and Poisson hardness. This innovative approach contributes to the broader goal of accelerating material discovery for industrial and environmental applications.

🎯 Research Interests

Yang Liu’s academic and professional pursuits align closely with advanced material science, computational chemistry, and applied mathematics.

• Density Functional Theory (DFT) and its applications in predicting material properties.
• Synthesis of nanomaterials using methods like hydrothermal and solvothermal techniques.
• The development of visible-light photocatalysts for eco-friendly applications.
• Exploring bioinformatics through computational approaches for analyzing complex systems.

🎓 Academic Background

Yang Liu began his academic journey with a Bachelor of Physics at Yan’an University (2019–2023), where he worked under the guidance of Prof. Fuchun Zhang. His thesis explored the enhancement of heterojunction properties through oxygen vacancies, showcasing his expertise in improving material performance. Presently, as a master’s student at St. Petersburg State University, Yang is expanding his expertise in applied mathematics, contributing to multi-disciplinary research integrating physics, chemistry, and computation.

🏅 Scholarships and Awards

Yang Liu’s achievements are supported by a robust academic background, though specific awards or scholarships are not detailed. His affiliations with prestigious institutions like St. Petersburg State University and Yan’an University highlight his commitment to academic excellence.

🧬 Bioinformatics and Computational Proficiency

Yang possesses notable skills in computational chemistry and data processing,

• Electronic structure simulations using tools like VASP, Gaussian 09W, and MS.
• Analyzing mechanical properties such as Young’s modulus and Poisson hardness.
• Proficiency in handling software like COMSOL Multiphysics and Cinema 4D, indicating his ability to model complex systems.

🌐 Professional Associations

Yang’s collaborations with institutions such as the 42nd Research Institute of CASC and Tsinghua University’s Future Lab reflect his involvement in cutting-edge projects. These affiliations have honed his expertise in computational analysis, materials synthesis, and spectroscopy.

🛠️ Training and Workshops

Yang Liu has gained hands-on experience with sophisticated equipment and techniques through specialized training.

• X-ray Crystallography (XRD) for material structure analysis.
• UV-Visible and PL Spectroscopy for optical property assessment.
• RAMAN Spectroscopy and BET analysis for surface and porosity studies.
• Computational tools like ENDNOTE Reference Manager for academic writing and organization.

🎤 Oral Presentations

As a budding researcher, Yang has shared his insights and findings at academic platforms, presenting topics such as electronic structure simulations and synthesis of visible-light photocatalysts, furthering his role as a communicator in scientific communities.

🏆 Tasks Completed as a Researcher

Yang Liu has completed numerous projects demonstrating his proficiency in:

• Synthesis of nano-materials using hydrothermal, solvothermal, and microwave methods.
• Characterization of materials with advanced spectroscopic techniques.
• Data-driven predictions of material stability using machine learning.

🚀 Success Factors

Yang’s success lies in his interdisciplinary expertise, combining material science, computational techniques, and applied mathematics. His ability to integrate machine learning with material discovery showcases his innovative mindset and adaptability.

📖 Publications and Laboratory Experience

Yang Liu’s laboratory experience includes hands-on work with sophisticated instruments, ensuring accurate characterization and analysis of materials. His knowledge of HOMO-LUMO analysis, Fukui functions, and electrochemical impedance spectroscopy underlines his technical expertise.

🌟 Conclusion

Yang Liu exemplifies a new generation of researchers who blend computational prowess with scientific curiosity. His journey, marked by academic rigor and innovative research, positions him as a rising star in material science and applied mathematics. With ongoing work on machine learning in material prediction and advanced characterization techniques, Yang Liu is poised to make significant contributions to sustainable and cutting-edge technologies.

📖Publications: