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Research Fellow (Computational Materials Science) 1

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National University of Singapore (NUS)

Kent Ridge Campus

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Research Fellow (Computational Materials Science)

Research Fellow

2026-07-27

Location

Kent Ridge Campus

Required Qualifications

Ph.D. in Materials Science, Chemistry, Physics or related
Solid-state physics/chemistry and physical chemistry
DFT (VASP) and molecular dynamics with ML force fields
Scientific programming (Python or C/C++)
UNIX/Linux and Bash experience
Track record of publications

Research Areas

Computational Materials Science
Rechargeable batteries
Inorganic solid electrolytes
Machine learning force fields
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Research Fellow (Computational Materials Science) 1

Job Description

We are seeking a highly motivated and talented Research Fellow to join our team in the development of rechargeable batteries using computational design. As part of this project, you will play a key role in designing composites materials using inorganic solid electrolytes using computational modelling and machine learning.

Qualifications

  • Ph.D. in Materials Science, Chemistry, Physics, or a related field.
  • A deep understanding of solid-state physics/chemistry and general physical chemistry. Knowledge of rechargeable battery and electrochemistry is a plus. Experience in computational modelling of inorganic solid electrolyte or other energy materials is desired.
  • Well-equipped with different tools of materials modelling. Prior experience of computational modelling of functional materials using DFT (VASP) and molecular dynamics with machine learning force fields is desired.
  • Experience and skills in scientific programming (e.g. Python or C/C++) and data analysis, including experience with UNIX/Linux operating systems and command-line environments (e.g. Bash). Experience in machine learning & deep learning, database, and good understanding of high-performance computing hardware is a plus.
  • A track record of publishing papers in decent scientific journals and excellent writing & presentation skills.
  • Able to collaborate with experimentalist and work with other team members.

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Frequently Asked Questions

🎓What qualifications are required for this Research Fellow role?

A Ph.D. in Materials Science, Chemistry, Physics or a related field is essential. Candidates need a deep understanding of solid-state physics/chemistry and general physical chemistry. Experience in computational modelling of inorganic solid electrolytes using DFT (VASP) and molecular dynamics with machine learning force fields is highly desired. See how to write a winning academic CV.

💻What technical skills are needed for the computational modelling position?

Strong skills in scientific programming (Python or C/C++) and data analysis are required, along with experience in UNIX/Linux and command-line environments (Bash). Knowledge of machine learning & deep learning, databases, and high-performance computing is a plus. Explore research jobs for similar roles.

📚Is there teaching involved in this Research Fellow position?

The role focuses primarily on computational research in rechargeable batteries and materials design. No specific teaching load is mentioned, but collaboration with experimentalists is expected. Check faculty jobs for teaching-focused opportunities.

📅What is the application deadline and start date for this job?

Applications close on 2026-07-27. The start date is not specified. Prepare your application early using resources like academic CV tips.

🔬What research areas does this Computational Materials Science role cover?

The position involves computational design of composites using inorganic solid electrolytes, DFT modelling, molecular dynamics, and machine learning force fields for energy materials. Browse research jobs for related projects.

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