A passionate developer and researcher focused on AI4Science, especially AI4Polymer and computational materials science.
I'm currently a PhD candidate in Materials Science and Engineering at The Chinese University of Hong Kong, Shenzhen, working on machine learning for polymeric materials.
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PhD Candidate in Materials Science and Engineering
The Chinese University of Hong Kong, Shenzhen (2023 – Present)
GPA: 3.83/4.0 | Supervisors: Prof. Shiping Zhu, Prof. Qi Zhang, Prof. Tianshu Yu
Research: Machine learning for polymeric materials, polymer property prediction, generative models -
MSc in Physical Chemistry
Fudan University (2019 – 2022)
Supervisor: Prof. Xin Xu
Research: Theoretical and computational chemistry, DFT, xDH@B3LYP methods -
BSc in Chemistry
Huazhong University of Science and Technology (2015 – 2019)
GPA: 3.82/4.0 (Top 10%)
- Machine Learning for Polymeric Materials
- Polymer Property Prediction & Optimization
- Generative Models for Material Design
- Interpretable AI in Materials Science
- Quantum Chemistry & DFT
Programming & Tools
Quantum Chemistry Software
FHI-aims, Q-Chem, PySCF, Gaussian 09/16, PSI4
Languages
Chinese (Native), English (IELTS 6.5)
| Project | Description | Tech Stack |
|---|---|---|
| Lap-Shear Strength Prediction | ML-based prediction of adhesive strength using active learning | Python, Bayesian Optimization, Regression Models |
| CO₂ 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 |
Tan, S., Wang, Y., Zhang, I. Y., & Xu, X. (2022).
Assessment of Advanced xDH@B3LYP Methods in Describing Various Potential Energy Curves Driven by π-π, CH/π, and SH/π Non-Bonded Interactions.
Chinese Journal of Chemical Physics, 35(5), 720–726.
(First Author)
- Physical Chemistry (Leading TA) – CUHK(SZ), 2024
- Ordinary Differential Equations – CUHK(SZ), 2024
- Mechanics – CUHK(SZ), 2025
- Quantum Chemistry – Fudan University, 2021
- ByteDance – Data-AML-Scientific Computing (2022–2023)
- ByteDance – Data-AML-Engine Intern (2022)
- ByteDance – TikTok-Quality Assurance Intern (2021)
- Research Assistant – CUHK(SZ), Prof. Guijuan Cheng’s Group (2023)
- 📧 Email: [email protected]
- 💼 LinkedIn: linkedin.com/in/shiqiantan
- 🌐 Website: AI4PolymerCommunity
- 🐙 GitHub: github.com/ShiqianTan
微信公众号: 鲸落生
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