Research Intern – AI for Science

About the role

Sea AI Lab (SAIL) is looking for research interns to advance AI-driven scientific computing, focusing on first‑principles calculations and their algorithmic applications in materials science and chemistry. The internship lasts a minimum of six months and offers the chance to contribute to cutting‑edge research and publish in top‑tier venues.

Key responsibilities

• Develop and optimize large‑scale quantum chemistry algorithms and related software.
• Design and implement GPU kernels using CUDA or Triton.
• Create and apply machine‑learning force fields and other AI models to materials and molecular systems.
• Explore applications of large language models in materials science.
• Conduct data‑driven discovery of new materials and molecules.
• Publish research findings in leading conferences and journals.

Required profile

• Master’s or Ph.D. candidate in Computer Science, Engineering, AI, Mathematics, Computational Physics, Computational Chemistry, or a related quantitative field.
• Strong programming ability in Python (or other languages).
• Experience with at least one differentiable computing framework such as JAX or PyTorch.
• Ability to commit to a minimum six‑month full‑time or part‑time internship.
• Preferably prior publications in top‑tier venues and familiarity with first‑principles methods (DFT, QMC).

Required skills

• Python
• JAX
• PyTorch
• CUDA
• Triton
• Density Functional Theory (DFT)
• Quantum Monte Carlo (QMC)
• Machine Learning
• Large Language Models (LLMs)
• Quantum chemistry algorithm development