Research Fellow (AI for Electrocatalysis)

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

Research Fellow

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 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 A research-intensive public university, Nanyang Technological University, Singapore (NTU Singapore) has 33,000 undergraduate and postgraduate students in the Engineering, Business, Science, Humanities, Arts, & Social Sciences, and Graduate colleges. It also has a medical school, the Lee Kong Chian School of Medicine, established jointly with Imperial College London. NTU is also home to world-class autonomous institutes – the National Institute of Education, S Rajaratnam School of International Studies, Earth Observatory of Singapore, and Singapore Centre for Environmental Life Sciences Engineering – and various leading research centres such as the Nanyang Environment & Water Research Institute (NEWRI) and Energy Research Institute @ NTU (ERI@N). Ranked amongst the world’s top universities by QS, NTU has also been named the world’s top young university for the past seven years. The University’s main campus is frequently listed among the Top 15 most beautiful university campuses in the world and has 57 Green Mark-certified (equivalent to LEED-certified) buildings, of which 95% are certified Green Mark Platinum. Apart from its main campus, NTU also has a campus in Novena, Singapore’s healthcare district. Under the NTU Smart Campus vision, the University harnesses the power of digital technology and tech-enabled solutions to support better learning and living experiences, the discovery of new knowledge, and the sustainability of resources. For more information, visit www.ntu.edu.sg About NIE About RSIS About LKCMedicine About NTUItive