AI-Driven Electrocatalysis Research Fellow

NANYANG TECHNOLOGICAL UNIVERSITY; Singapore; On-site; SGD 90,000 - 120,000; Full time

Job summary

Nanyang Technological University in Singapore invites applications for a Research Fellow to advance AI-driven methods for catalyst and materials discovery, atomistic simulations, and data-driven energy systems analysis.

The role focuses on leading publications, assisting the PI with funded projects, and mentoring 1–2 PhD students while collaborating with a multidisciplinary team and applying Python programming and first-principles techniques such as DFT.

Qualifications

• PhD in Chemistry, Chemical Engineering, Materials Science, Physics, Computer Science, or related discipline.
• Demonstrated research experience in computational chemistry, atomistic simulations, machine learning, or AI 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 ML 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.

Responsibilities

• Lead 1–2 high-impact journal publications annually and co-author 2–3.
• Assist the PI in managing funded research projects and report progress regularly.
• Collaborate with a multidisciplinary research team and external collaborators to ensure effective project execution.
• Assist in supervising 1–2 PhD students or junior researchers and support their development.

Skills

Python programming

Data analysis

Communication

Independent work

Project management

Mentoring

Education

PhD in Chemistry/related field

Tools

DFT

Molecular dynamics

Scientific computing

Job description

Nanyang Technological University in Singapore invites applications for a Research Fellow to advance AI-driven methods for catalyst and materials discovery, atomistic simulations, and data-driven energy systems analysis.

The role focuses on leading publications, assisting the PI with funded projects, and mentoring 1–2 PhD students while collaborating with a multidisciplinary team and applying Python programming and first-principles techniques such as DFT.