AI-Driven Electrocatalysis Research Fellow

Nanyang Technological University; Singapore; On-site; SGD 90,000 - 130,000; Full time

Job summary

NTU Singapore is seeking a Research Fellow to conduct cutting-edge research at the interface of artificial intelligence, computational chemistry, and energy materials. The role focuses on developing AI-driven methods for catalyst and materials discovery, atomistic simulations, and data-driven understanding of complex energy systems.

The successful candidate will collaborate with a multidisciplinary team, mentor junior researchers, and help publish high-impact results in international journals.

Qualifications

• PhD in Chemistry, Chemical Engineering, Materials Science, Physics, Computer Science, or a related discipline.
• Strong research experience in computational chemistry, atomistic simulations, machine learning, or artificial intelligence for materials and catalysis.
• Proficient in Python; skilled in scientific computing and data analysis.
• Experience with first-principles calculations (e.g., DFT), molecular dynamics, or machine learning methods is desirable.
• A strong publication record in high-quality international journals.
• Strong written and verbal communication skills, including preparing technical reports and presenting findings.
• Ability to work independently while collaborating within a multidisciplinary team.
• Strong organizational skills with the ability to manage multiple research tasks and deadlines.

Responsibilities

• Lead outputs: 1–2 independent and 2–3 co-authored high-impact journal publications annually.
• Assist the PI in managing funded research projects and reporting progress.
• Collaborate with a multidisciplinary team and external partners to ensure project execution.
• Mentor 1–2 PhD students or junior researchers and support their development.

Skills

Python programming

Machine learning

Data analysis

Education

PhD in Chemistry/Materials/Physics/CS or related

Tools

Python

Job description

NTU Singapore is seeking a Research Fellow to conduct cutting-edge research at the interface of artificial intelligence, computational chemistry, and energy materials. The role focuses on developing AI-driven methods for catalyst and materials discovery, atomistic simulations, and data-driven understanding of complex energy systems.

The successful candidate will collaborate with a multidisciplinary team, mentor junior researchers, and help publish high-impact results in international journals.