Research Fellow (AI for Electrocatalysis)

About the role

NTU is looking for a Research Fellow to carry out research at the intersection of artificial intelligence, computational chemistry and energy materials. The fellowship focuses on developing AI-driven methods for catalyst and materials discovery, atomistic simulations and data-driven understanding of complex energy systems.

Key responsibilities

• Lead 1-2 and co-author 2-3 high-impact journal publications per year.
• Assist the Principal Investigator in managing funded research projects and report progress regularly.
• Work closely with a multidisciplinary research team and external collaborators.
• Assist in supervising 1-2 PhD students or junior researchers and support their research development.

Required profile

• PhD in Chemistry, Chemical Engineering, Materials Science, Physics, Computer Science or a related discipline.
• Demonstrated research experience in computational chemistry, atomistic simulations, machine learning or AI for materials and catalysis.
• 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 and manage multiple research tasks and deadlines.

Required skills

• Strong programming 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.