Welcome to my personal homepage! I am currently a third-year Electronic Science and Technology student at Xuzhou University of Technology and Saint Petersburg Electrotechnical University "LETI", studying in a Sino-Russian joint engineering program.

My research interests lie at the intersection of Membrane Science and Membrane Technology, Nanomaterial Design for Membrane Technology, Machine Learning & Deep Learning in Membrane Science, Large Language Model Fine-Tuning and Agent Development for Materials Discovery, Electronic Material Modeling, Density Functional Theory (DFT) Computational Modeling, and Machine learning modeling.

Biography

I am based in Xuzhou, Jiangsu, China. I initially studied Environmental Science and Engineering before transferring to Electronic Science and Technology. Since transferring, I have continued conducting research across both environmental science and engineering and electronic science and technology, achieving strong academic and research results in both fields. I was the first student in Jiangsu Province to receive the National Scholarship through the academic-exception pathway. My current academic work covers membrane science and technology, electronic material modeling, machine learning and deep learning for materials, LLMs in materials science, DFT computational modeling, nanomaterials, and environmental science and engineering.

I enjoy trying new things and constantly seek opportunities to challenge myself and grow, whether in academic research or personal life. My research and project work includes Pebax 1657 membranes, PDMS-based electronic membranes, electronic material modeling, nanoporous materials, machine learning, LLMs in materials science, and DFT development. Outside my academic pursuits, I enjoy hiking, running, biking, cooking, and baking.

Curriculum Vitae

Download my CV here

Research Interests

• Methodological Areas: Membrane Science and Membrane Technology (PDMS-based electronic membranes, Pebax 1657), Nanomaterial Design for Membrane Technology (MOFs, MXene, Biochar, Graphene), Machine Learning & Deep Learning in Membrane Science.
• Application Areas: Large Language Model Fine-Tuning and Agent Development for Materials Discovery, Electronic material modeling, Density Functional Theory (DFT) Computational Modeling, Machine learning modeling.

Education

Honors & Awards

• 2025 National Scholarship (Academic Exception, First Case in Jiangsu Province)
• 2025 7th "Jisi Cup" National College Students' Research-Oriented Academic Achievement Competition, Special Prize (1st Author)
• 2025 2nd Youth Green Technology Innovation Competition, Bronze Award (1st Author)
• 2025 18th National College Students' Innovation Annual Conference, Selected for Presentation (1st Author)
• 2025 Mathematical Contest in Modeling (MCM), United States, International, 2nd Prize (Ranking not in order)
• 2025 18th "CMB Cup" National College Students' Energy Conservation and Emission Reduction Social Practice and Science & Technology Competition, National Finals, 2nd Prize (1st Author)
• 2025 18th "CMB Cup" National College Students' Energy Conservation and Emission Reduction Social Practice and Science & Technology Competition, National Finals, 3rd Prize (Team Member)
• 2025 China International College Students' Innovation Competition, National Finals, 3rd Prize (2nd Team Leader)
• 2025 15th "CP Cup" National College Students' Market Research and Analysis Competition, National Finals, Undergraduate Group, 3rd Prize (1st Author)
• 2025 National College Students' Innovation Training Program, Excellent Project Completion (Principal Investigator)
• 2025 5th Jiangsu Province Energy Conservation and Emission Reduction Social Practice and Science & Technology Competition, 1st Prize (1st Author)
• 2025 China Undergraduate Mathematical Contest in Modeling, Jiangsu Provincial Round, 1st Prize (1st Author)
• 2025 National College Students' Statistical Mathematical Modeling Competition, Jiangsu Provincial Round, 1st Prize (1st Author)
• 2025 15th "CP Cup" National College Students' Market Research and Analysis Competition, Jiangsu Provincial Round, Undergraduate Group, 1st Prize (1st Author)
• 2025 China International College Students' Innovation Competition, Jiangsu Provincial Round, 2nd Prize (1st Author)
• 2025 Asia and Pacific Mathematical Contest in Modeling, Certificate of Achievement, International, 2nd Prize (1st Author)
• 2026 6th Jiangsu Province College Students' Energy Conservation and Emission Reduction Social Practice and Science & Technology Competition, 2nd Prize (1st Author)
• 2026 6th Jiangsu Province College Students' Energy Conservation and Emission Reduction Social Practice and Science & Technology Competition, 2nd Prize x2 (Team Member)
• 2025 "Poetry and Painting Fluid Mechanics" Creative Competition, 2nd Prize (1st Author)
• 2025 7th Jiangsu Province College Students' Water Creative Design Competition, 2nd Prize (Team Member)
• 2025 "Poetry and Painting Fluid Mechanics" Creative Competition, 3rd Prize (Team Member)
• 2025 IODA International Original Design Award, Gold Award (Team Member)
• 2025 11th National Youth Science Popularization Innovation Experiment and Works Competition, Jiangsu Provincial Round, 3rd Prize (1st Author)
• 2025 11th National College Students' Energy Economics Academic Creativity Competition, Jiangsu Provincial Round, 3rd Prize (Team Member)
• 2024 Asia and Pacific Mathematical Contest in Modeling, Certificate of Achievement, International, 1st Prize (1st Author)
• 2024 4th Jiangsu Province College Students' Energy Conservation and Emission Reduction Social Practice and Science & Technology Competition, 2nd Prize (1st Author)
• 2024 4th Jiangsu Province College Students' Energy Conservation and Emission Reduction Social Practice and Science & Technology Competition, 1st Prize (Team Member)
• 2024 National College Students' Mathematical Modeling Competition, Jiangsu Provincial Round, 3rd Prize (1st Author)

Funding & Grants

• National Innovation and Entrepreneurship Training Program for College Students (XCX2024117 / Excellent Completion) (PI)
• National Key R&D Program of China (2024YFB3612600) (Participant)
• National Natural Science Foundation of China (22375100, 22275098 and 62288102) (Participant)
• Basic Research Program of Jiangsu (BK20243057) (Participant)
• Open Fund, Zhejiang Key Lab of Pollution Control for Port-Petrochemical Industry (Y202502) (Participant)
• Open Fund, Zhejiang Key Lab of Petrochemical Environmental Pollution Control (2024Z02) (Participant)
• Jiangsu Province College Students' Innovation Training Program (202610293144Y) (Participant)

Project & Research Experience

Performance Optimization of Pebax 1657 Mixed Matrix Membranes (MMMs) Using Machine Learning, Large Language Models, and Nanomaterials

Jun. 2023 - Present · Advisors: Prof. Xueyang Zhang (Vice Dean, CN) and Prof. Bin Gao (AAAS Fellow, SSSA Fellow, USA).

• Fabricated Pebax-1657 mixed matrix membranes incorporating ball-milled H₂O₂-modified nanobiochar, corn stalk biochar, and bamboo biochar, and evaluated CO₂ permeability and CO₂/N₂ selectivity under varying filler loadings and surface-modification conditions.
• Fabricated multilayer PDMS-based electronic membranes that use an applied electric field to tune filler distribution and molecular-sieve pore size, enabling a single membrane to size-selectively separate different gases.
• Prepared, characterized, and screened multiple nanomaterials (MXene, MOFs, CNTs, and graphene) for incorporation into Pebax-1657 membranes to investigate their effects on CO₂ separation performance.
• Performed density functional theory (DFT) calculations to investigate the electronic structure and CO₂ adsorption behavior of biochar-based fillers, providing mechanistic insights complementary to the experimental permeation results.
• Developed machine learning and large language model (LLM)-based workflows to correlate membrane composition and fabrication parameters with gas separation performance, enabling data-driven optimization of filler selection and processing strategies.
• Outcome: Authored 4 first-author works on this project, including one published SCI Q1 paper (Environmental Research, 2025) and a second SCI Q1 paper under review (Journal of Membrane Science); co-authored 6 further group papers on biochar-based CO₂ capture and related environmental degradation research, including a book chapter led by Prof. Bin Gao.

Electronic Material System Optimization Modeling Based on Machine Learning and LLM Fine-Tuning

Jan. 2024 - Present · Advisors: Dr. Zijing San (Xuzhou, CN) and Dr. Zhongyuan Yuan (Xuzhou, CN).

• Developed a domain-adaptive physics-augmented Long Short-Term Memory (LSTM) framework for electronic material degradation prediction under extreme few-shot conditions, embedding material aging mechanisms as physical constraints to improve prediction accuracy when characterization data is scarce.
• Built MatField-LLM, an evidence-grounded large language model for structured extraction of electronic material property data, fine-tuned to ground its outputs in materials science evidence for tasks such as performance degradation, structural stability, and material property extraction.
• Designed and implemented an adaptive-gated ensemble learning framework for electronic material stability prediction, integrating multiple base learners through an adaptive gating mechanism to capture nonlinear degradation behavior across different aging stages and operating conditions.
• Outcome: 3 (co-)first-author manuscripts led by this LLM framework submitted to an SCI Top Q1 journal; two other materials science papers under review. Contributed to 3 collaborative works on robotics, sustainability, and power forecasting.

Data-Guided Design of Nanoporous Materials for Isovalent Ion Separation

Jan. 2025 - Present · Advisor: Prof. Linghai Xie (Excellent Young Scholars, CN).

• Investigated how confined pore geometries govern ion transport and chemical recognition selectivity across membrane and framework materials, as part of a collaborative study on nanoporous materials for isovalent ion separation.
• Synthesized and organized structure-performance data across reported nanoporous systems, establishing data-guided design principles linking pore architecture to isovalent ion selectivity.
• Constructed a curated database of nanoporous materials by extracting structural descriptors, transport properties, and ion selectivity metrics from published literature.
• Outcome: Co-authored a review article in Science China Materials (2nd revision, SCI Top / JCR Q1) on confined transport, chemical recognition, and data-guided design of nanoporous materials for isovalent ion separation.

Working & Teaching Experience

China Architecture & Culture Press

Jul. 2024 - Present · Assistant Editor · Kowloon, Hong Kong

• Assisted in manuscript revision, proofreading, and academic formatting.
• Supported journal promotion and academic event organization.

Nanyang Technological University

Jul. 2018 - Aug. 2018 · Exchange Scholar · Singapore, SG

• English Proficiency Training & Engineering Education.

Open DFT Team

Jun. 2025 - Present · Team Leader · GitHub Open-source Project

• Led a 5-member team to build an open-source LLM-assisted DFT computing workflow system.
• Promoted the project on Xiaohongshu (RedNote), earning 1,000+ combined likes and favorites.

Skills & Certificates

• Programming Languages: C++, Python, PHP, SQL.
• Experimental Instruments Mastered: Hitachi SU8600 SEM (mastered theoretical principles and operated with supervisor guidance), SMT-275 gas permeability tester, Rigaku Ultima IV XRD, Mettler-Toledo TGA/DSC3+, TA DSC Q20 DSC, KuboX1000 gas sorption analyzer, Agilent 7890B GC, Elementar Vario Macro cube elemental analyzer, HORIBA Xplora Plus confocal Raman spectrometer, PerkinElmer Spotlight 400 FTIR spectrometer, Anton Paar Litesizer 500 nanoparticle & zeta potential analyzer.
• Data Processing & Plotting Software: Origin, LaTeX, Visio, SPSS.
• Numerical Calculation & Machine Learning Software: MATLAB, Mathematica, Scikit-learn, PyTorch, TensorFlow, CUDA.
• DFT & Material Simulation Software: VASP, Materials Studio (CASTEP), VESTA, Pymatgen.
• English Ability: CET-4 (435/710); CET-6 Spoken English Test, Good (4/5). Proficient in academic reading & writing.
• Hobbies and Activities: Hiking, Running, Biking, Cooking, Baking.

Contact Information

• Address: No. 2 Lishui Road, Xuzhou, Jiangsu 221018, China
• Email: Yinzi.Shao@outlook.com
• Phone: +86 13773558365
• Website: yinzishao.com