Research Fellow (AI for Materials Science)

Job Title: Research Fellow (AI for Materials Science)

University-Level Unit: College of Design and Engineering

Faculty/Department-Level Unit: Materials Science and Engineering

Employee Category: Research Staff

Location_ONB: Kent Ridge Campus

Posting Start Date: 11/08/2026

Job Description

A Research Fellow (AI for Materials Science) position is available in the Department of Materials Science and Engineering at the National University of Singapore under the direction of Dr. Peichen Zhong. We are seeking a candidate who is interested in pursuing research in atomistic and generative modelling, agentic AI for physical science, theory & experimental alignment, and other related fields.

Qualifications

• PhD degree in Science or Engineering
• Education or a track record in applied mathematics, with a strong interest in physical sciences
• A solid foundation in thermodynamics & statistical mechanics, solid-state physics/chemistry, and/or quantum mechanics
• Practical experience with density functional theory calculations (e.g., VASP, Quantum Espresso, Q-Chem, PySCF)
• Proficiency in at least one mainstream deep learning framework (e.g., PyTorch, JAX)
• Expertise in (atomistic) thermodynamic, kinetic simulations or computational chemistry
• Ability to independently design and execute research projects and excellent proficiency in written and oral English.
  
  

Req ID: 34034