Research Fellow (AI for Electrocatalysis)

Nanyang Technological University, Singapore (NTU Singapore); Singapore; On-site; SGD 70,000 - 100,000; Full time

Job summary

NTU Singapore is seeking a Research Fellow to develop AI-driven methods for catalyst and materials discovery, atomistic simulations, and data-driven understanding of energy systems.

You will lead publications, collaborate across disciplines, mentor PhD students, and help manage funded projects in a dynamic research environment at NTU's energy research hub.

Qualifications

• PhD in Chemistry, Chemical Engineering, Materials Science, Physics, or Computer Science.
• Experience in computational chemistry, atomistic simulations, ML for materials/catalysis.
• Strong Python programming and data analysis skills.
• Strong publication record in international journals.

Responsibilities

• Lead 1–2 publications and co-author 2–3 per year.
• Assist PI in managing funded projects and report progress.
• Collaborate with multidisciplinary team and external partners.
• Mentor 1–2 PhD students or junior researchers.

Skills

Research collaboration

Python programming

Communication skills

Independent working

Team mentorship

Education

PhD degree

Tools

Python

DFT software

Job description

We are looking for a Research Fellow to conduct cutting-edge research at the interface of artificial intelligence, computational chemistry, and energy materials. The role will focus on developing AI-driven methods for catalyst and materials discovery, atomistic simulations, and data-driven understanding of complex energy systems.

Key Responsibilities

Research Outputs: Expected to lead 1–2 and co-author 2–3 high-impact journal publications annually.

Project Management: Assist the PI in managing funded research projects and report research progress regularly.

Collaboration: Work closely with a multidisciplinary research team and external collaborators.

• - Research Outputs: Expected to lead 1–2 and co-author 2–3 high-impact journal publications annually.
• - Project Management: Assist the PI in managing funded research projects and report research progress regularly.
• - Collaboration: Work closely with a multidisciplinary research team and external collaborators to ensure effective project execution.
• - Mentorship: Assist in supervising 1–2 PhD students or junior researchers and support their research development.

Job Requirements

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

We regret that only shortlisted candidates will be notified.

Hiring Institution: NTU