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Research Fellow (AI for Electrocatalysis)

On-site Singapore full time

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

Source: the employer's careers page. Last checked 2026-10-16. Posted 2026-10-16.

Applications happen on NTU's own site. View role and apply

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