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Harrison-Li/README.md

Welcome

Hi!👋

My name is Bo Li, a graduate student in materials science, hoping to utilize machine learning to accelerate materials discovery, especially for inverse design of materials and Large Language Models for automated labs to reduce the cost of traditional research.

Research interests

My research interests focus on the inverse design of materials through generative models and the development of autonomous platforms. Recently, I was inspired by AIQC, which utilizes AI to learn wavefunctions and force fields. It appears to be a promising approach for property prediction, as it maintains the accuracy of high-performance computing while achieving the speed of machine learning. 🤔

Feel free to connect with me on my LinkedIn profile or reach out via my email. I’m always happy to chat with anyone interested in AI for Science (AI4S).

📕Education

  • National University of Singapore [2025.08-Present]
    Master of Science in Materials Science (Specialised in AI for functional materials program)

  • Queen Mary University of London [2021.09-2025.06]
    BEng with Honours in Materials Science and Engineering
    First Class degree with Honours.

Pinned Loading

  1. SAMGPT SAMGPT Public

    This is my final year project working on inverse design of self-assembled monolayers

    Python

  2. Practice_MolGNN Practice_MolGNN Public

    My graph neural network for molecular property prediction--- a practice

    Python

  3. Computational-materials-notes Computational-materials-notes Public

    My notes from study computational materials from material science background as a beginner

    Jupyter Notebook

  4. HowToCook HowToCook Public

    Forked from Anduin2017/HowToCook

    程序员在家做饭方法指南。Programmer's guide about how to cook at home (Simplified Chinese only).

    Dockerfile