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National University of Singapore

Research Fellow (Computational Physics)

Closes:

603

Job Description

The Institute for Functional Intelligent Materials (I-FIM) is the world’s first institute dedicated to the design, synthesis, and application of Functional Intelligent Materials (FIMs). Its global vision is to create a platform to develop I-FIMs with predetermined properties and autonomous, dynamic functionalities which can respond to changing environmental conditions. I-FIM will then investigate the use of such materials for smart applications in various sectors of technology.

At I-FIM, we value the health and wellbeing of our I-FIM community. We aim to facilitate people’s journey towards a state of complete physical, mental and social wellbeing, where we realise our own potential and are able to contribute meaningfully to our work and communities. Together, I-FIM helps our people to stay healthy and meaningfully engaged.

I-FIM is inviting applications for a full-time Postdoctoral Research Fellow position. The appointment will be on a fixed-term contract for two years, with the possibility of renewal subject to satisfactory performance and the availability of funding.

Job Qualifications & Requirements

  • This role requires hands-on expert command of the full computational toolchain, end to end, the entire pipeline from first-principles defect physics through transport theory to machine-learning-based diagnostics
  • PhD in Physics, Materials Science, Chemistry, or a closely related computational field, with a demonstrated track record spanning first-principles methods, quantum transport theory, and machine learning
  • Expert, hands-on experience with DFT codes (VASP and/or Quantum ESPRESSO)
  • Expert proficiency in Python and/or MATLAB
  • Knowledge of T-matrix scattering theory and quantum transport
  • Knowledge of effective-medium theory (EMT) and random-resistor-network (RRN) simulation (typically in MATLAB)
  • Expert, hands-on experience training deep-learning models with PyTorch and/or TensorFlow on GPU clusters
  • Knowledge of 2D materials (transition-metal dichalcogenides such as MoS₂/MoTe₂ preferred) and point-defect physics
  • Proficiency with CPU and GPU high-performance/cluster computing environments and scripting for end-to-end computational workflows
  • Strong record of peer-reviewed publications spanning computational condensed-matter physics and, ideally, machine-learning applications, commensurate with career stage
  • Demonstrated ability to personally execute and lead technical work across multiple domains (DFT, transport theory, and machine learning)
  • Preferred to have prior work spanning the full first principles-to-machine-learning pipeline, ideally demonstrated through publications or projects that combine DFT, transport theory, and machine learning
  • Preferred to have software engineering practices for reproducible scientific pipelines (version control, structured HDF5 data management, documentation) across a multi-stage computational workflow

Job details

Title
Research Fellow (Computational Physics)
Employer
National University of Singapore
Location
Kent Ridge Campus
Published
Sep 15, 2026
Closes:
Nov 14, 2026
Job type
Full time, Academic / Faculty, Physics
Field
Computational Physics

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Frequently Asked Questions

🎓What qualifications and expertise are required for this Research Fellow (Computational Physics) role?

The role requires a PhD in Physics, Materials Science, Chemistry, or a closely related computational field. You must have hands-on first-principles methods experience, expert DFT skills using VASP and/or Quantum ESPRESSO, and advanced programming in Python and/or MATLAB. A strong publication record across computational condensed-matter physics and machine learning is essential. For guidance on presenting your profile, see how to write a winning academic CV.

💻What computational skills are needed for the full first-principles-to-machine-learning pipeline?

You should command the entire computational toolchain: first-principles defect physics, quantum transport theory, and machine-learning diagnostics. Key skills include T-matrix scattering theory, effective-medium theory (EMT), random-resistor-network (RRN) simulation, and training deep-learning models with PyTorch and/or TensorFlow on GPU clusters.

📝What is the contract length and employment type for this postdoctoral role?

This is a full-time Postdoctoral Research Fellow appointment on a fixed-term contract of two years, with possibility of renewal subject to satisfactory performance and funding. Learn more about what a postdoctoral research fellow is and explore postdoctoral jobs.

🔬Where is the Institute for Functional Intelligent Materials located and what are its research areas?

I-FIM is located at Kent Ridge Campus, National University of Singapore. It focuses on Functional Intelligent Materials (FIMs) with predetermined properties and dynamic responses for smart technology applications. The role emphasizes 2D materials such as transition-metal dichalcogenides (MoS₂/MoTe₂) and point-defect physics.

🧭How can I prepare for the interview or application process for this Research Fellow position?

Highlight your end-to-end computational workflow experience, reproducible software engineering practices, and publications that combine DFT, transport theory, and machine learning. Review research fellow interview questions and tips and postdoctoral success strategies.

About the employer

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