Research Fellow: AI‑Driven Materials Science

National University of Singapore; Singapore; Sur place; SGD 90 000 - 130 000; Plein temps

Résumé du poste

The National University of Singapore invites applications for a Research Fellow (AI for Materials Science) in the Department of Materials Science and Engineering at Kent Ridge Campus. The role focuses on developing atomistic and generative modelling, agentic AI for physical science, and alignment between theory and experiment under Dr.

Peichen Zhong. Ideal candidates hold a PhD in science or engineering, with strong foundations in thermodynamics, statistical mechanics, quantum methods, and

Qualifications

• PhD in science or engineering required.
• Applied mathematics background with strong interest in physical sciences.
• Solid foundation in thermodynamics and statistical mechanics, solid-state physics/chemistry, or quantum mechanics.
• Experience with density functional theory calculations (VASP, Quantum Espresso, Q-Chem, PySCF).
• Proficiency in at least one deep learning framework (PyTorch or JAX).
• Expertise in atomistic thermodynamics/kinetic simulations or computational chemistry.

Responsabilités

• Pursue research in atomistic and generative modelling within AI for materials science.
• Develop methods for agentic AI applicable to physical science experiments and theory–experiment alignment.

Connaissances

Independent research

English proficiency

Thermodynamics

Quantum mechanics

Formation

PhD in Science or Engineering

Applied mathematics background

Outils

VASP

Quantum Espresso

Q-Chem

PySCF

PyTorch

JAX

Description du poste

The National University of Singapore invites applications for a Research Fellow (AI for Materials Science) in the Department of Materials Science and Engineering at Kent Ridge Campus. The role focuses on developing atomistic and generative modelling, agentic AI for physical science, and alignment between theory and experiment under Dr.

Peichen Zhong. Ideal candidates hold a PhD in science or engineering, with strong foundations in thermodynamics, statistical mechanics, quantum methods, and