We welcome Year 3 undergraduate students majoring in Chemistry at HKUST to contact Sherry and consider joining our group for their Final Year Project (FYP) in every November.

List of research track topics in 2026 (applying for 2027 FYP, topics vary every year)

• Wavefunction Learning with Transformer: Extending the current Orbformer architectures to learn a general foundation model (FM) for excited states of molecular systems.
• Orbital-based learning via Representation Learning and Graph Transformer:
• Generative Models for Material Design: Using generative AI (majorly diffusion model and flow matching) techniques to design novel materials with desired properties.
• LLM for Material Agents: Finetuning a large language model (LLM) for material agent to assist specific material discoveries (catalytsts, batteries, and polymers).

Q & A about FYP application:

Q1: When should I contact Sherry for FYP application?

A1: Usually in early November of Year 3.

Q2: How many students every year we take?

A2: To ensure the education quality, we usually consider 3-5 students every year.

Q3: What are the selection criteria?

A3: We most value three aspects: Python coding skills, GitHub repos and Chemistry insights. We do not set a minimum GPA requirement, and no prior research experience is required, but a strong passion for AI for Science is a must.

Q4: Can I continue to do a PhD with AI4PhysSci lab after FYP?

A4: Yes, we encourage our FYP students to continue their PhD studies with us. Strong FYP performance can significantly enhance your chances of being admitted to our PhD program.

Q5: Can I start eariler with you in Year 3 and continue FYP?

A5: Yes, if you are interested in starting earlier, you can consider joining us as a research intern in spring or summer of Year 3 before your FYP. This experience can provide valuable insights and preparation for your FYP project.

Q6: Any possibilities to take students outside HKUST Chemistry major?

A6: We primarily accept students from HKUST Chemistry program. If you are from a related field and have a strong interest in AI for Science, please feel free to reach out to discuss the possibilities of FYP. Please first check with your UG coordinator for the possibilites.