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ShiqianTan/README.md

๐Ÿ‘‹ Hello, I'm Shiqian Tan

I'm now on 2027 Fall Job Market and looking for job related to AI4Science!

A passionate developer and researcher focused on AI4Science, especially AI4Polymer and computational materials science.
I'm currently a final-year PhD candidate in Materials Science and Engineering at The Chinese University of Hong Kong, Shenzhen, working on machine learning for polymeric materials.


๐ŸŽ“ Education

  • PhD Candidate in Materials Science and Engineering
    The Chinese University of Hong Kong, Shenzhen (2023 โ€“ Present)
    GPA: 3.87/4.0
    Supervisors: Prof. Shiping Zhu, Prof. Qi Zhang, Prof. Tianshu Yu
    Research: AI for polymer

  • CSC Joint PhD
    Ghent University (2025 โ€“ 2026)
    Supervisor: Prof. Dagmar R. D'hooge
    Research: AI for polymer

  • MSc in Physical Chemistry
    Fudan University (2019 โ€“ 2022)
    Supervisor: Prof. Xin Xu
    Research: Theoretical and computational chemistry, DFT, xDH@B3LYP methods

  • BSc in Chemistry
    Huazhong University of Science and Technology (2015 โ€“ 2019)
    GPA: 3.82/4.0 (Top 10%)


๐Ÿ”ฌ Research Interests

  • Machine Learning for Polymeric Materials
  • Polymer Property Prediction & Optimization
  • Generative Models for Material Design
  • Interpretable AI in Materials Science
  • Quantum Chemistry & DFT

๐Ÿ› ๏ธ Technical Skills

Programming & Tools
Python PyTorch Fortran C++ LaTeX Git Bash

Quantum Chemistry Software
FHI-aims, Q-Chem, PySCF, Gaussian 09/16, PSI4

Languages
Chinese (Native), English (IELTS 6.5)


๐Ÿ“Œ Featured Projects

Project Description Tech Stack
Lap-Shear Strength Prediction ML-based prediction of adhesive strength using active learning Python, Bayesian Optimization, Regression Models
COโ‚‚ Sorption in PILs Interpretable ML prediction using physicochemical descriptors SVR, SHAP, Python
Polymer Solubility in ILs ML approach to predict polymer solubility in ionic liquids Data Mining, Machine Learning
Generative Monomer Design Multi-conditional monomer design using CVAE PyTorch, Multi-task Learning
AI Chatbot for Plastic Recycling LLM-based assistant for plastic waste recycling LLM, Database Construction

๐Ÿ“„ Publications

Tan, S., Wang, Y., Zhang, I. Y., & Xu, X. (2022).
Assessment of Advanced xDH@B3LYP Methods in Describing Various Potential Energy Curves Driven by ฯ€-ฯ€, CH/ฯ€, and SH/ฯ€ Non-Bonded Interactions.
Chinese Journal of Chemical Physics, 35(5), 720โ€“726.
(First Author)


๐Ÿ‘จโ€๐Ÿซ Teaching Experience

  • Physical Chemistry (Leading TA) โ€“ CUHK(SZ), 2024
  • Ordinary Differential Equations โ€“ CUHK(SZ), 2024
  • Mechanics โ€“ CUHK(SZ), 2025
  • Quantum Chemistry โ€“ Fudan University, 2021

๐Ÿ’ผ Work & Internship

  • FieldQuantum โ€“ AI4S, Data and Evaluation (202604-Now๏ผ‰
  • ByteDance โ€“ Data-AML-Scientific Computing (2022โ€“2023)
  • ByteDance โ€“ Data-AML-Engine Intern (2022)
  • ByteDance โ€“ TikTok-Quality Assurance Intern (2021)
  • Research Assistant โ€“ CUHK(SZ), Prof. Guijuan Chengโ€™s Group (2023)

๐Ÿ“Š GitHub Stats

Shiqian's GitHub Stats

Top Languages



๐Ÿ“ซ Get In Touch

ๅพฎไฟกๅ…ฌไผ—ๅท: ้ฒธ่ฝ็”Ÿ

้ฒธ่ฝ็”Ÿ ๅพฎไฟกๅ…ฌไผ—ๅทไบŒ็ปด็ 

ๆ‰ซ็ ๅ…ณๆณจๆˆ‘็š„ๅ…ฌไผ—ๅท๏ผŒ่Žทๅ–ๆ›ดๅคšAI4PolymerๆŠ€ๆœฏๅˆ†ไบซ


โญ๏ธ From ShiqianTan

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  1. AI4Polymer AI4Polymer Public

    Awesome list about AI4Polymer

    24 1

  2. AwesomePolymerDataset AwesomePolymerDataset Public

    A comprehensive database collection for AI4Polymer

    10 1

  3. AI4PolymerTutorial AI4PolymerTutorial Public

    A collected tutorial of AI4Polymer

    Jupyter Notebook 2

  4. AI4Polymer-book AI4Polymer-book Public

    A open source book for AI4Polymer

    Python 17 2

  5. awesome-MLIPs-benchmark awesome-MLIPs-benchmark Public

    Awesome benchmark list for MLIPS or MLFFs or MLPs or LAMs

    JavaScript 3 1

  6. AI4PolymerJournalRecommendation AI4PolymerJournalRecommendation Public

    A simple yet useful journal recommendation system of AI4Polymer

    HTML 1