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Research Fellow on AI for Molecules, School of Computing

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Job Description

The National University of Singapore invites applications for the position of Research Fellow in the Department of Computer Science, School of Computing (SoC). SoC is strongly committed to research excellence in all its dimensions: Searching for fundamental results and insights, developing novel computational solutions to a wide range of applications, building large-scale experimental systems and improving the well-being of society. We seek to play an active role both internationally and locally in the core and emerging areas of Computer Science and Information Systems

Dr Bian Yatao is seeking highly motivated individuals to join his research group at the National University of Singapore (NUS) School of Computing as a Research Fellow. Dr Bian’s research focuses on expanding the frontiers of AI capabilities in scientific intelligence, driving transformative technological advancements to address the most critical challenges in scientific research. Current research themes include (but are not limited to)

  • AI4SCI, with an emphasis on atomic systems such as molecules, proteins, and materials
  • Modern energy/entropy based learning
  • LLM/Agent for science
  • Related safety issues in AI4SCI

Dr. Bian provides a relaxed, supportive, and highly collaborative research environment. He brings extensive mentorship experience from supervising Master’s thesis projects at ETH Zurich and internship projects at Tencent AI Lab. Notably, several of his former students/interns have successfully secured fully funded positions at top-tier universities in Europe and the United States

Enquiries can be sent to the Principal Investigator, Dr Bian Yatao at https://yataobian.com

Only shortlisted candidates will be notified.

Job Requirements

  • Applications are welcome from students with diverse backgrounds (Computer Science, theory, empirical, or Science). Excellent academic record required
  • Solid programming foundation, familiar with mainstream deep learning frameworks such as PyTorch. ACM/ICPC or NOI/IOI award winners are preferred
  • Research experience and practical background in Machine Learning or AI4SCI. Candidates with experience in cutting-edge deep learning research (e.g., GNNs, Transformer-based models, and diffusion models) are preferred. Those with relevant research publications are preferred
  • Good English reading, writing, and oral communication skills. General English proficiency requirements for PhD admission: TOEFL >=90, IELTS >=6.5 (English proficiency requirements may be relaxed for exceptionally outstanding applicants)
  • Highly self-motivated with a strong passion for research
  • Possess strong self-motivation and problem-solving skills, with the ability to conduct high-quality research independently
  • Have a strong spirit of innovation and passion for research, capable of driving project progress within a team.

More Information

Location: Kent Ridge Campus

Organization: School of Computing

Department: Department of Computer Science

Employee Referral Eligible: No

Job requisition ID: 34715

Job details

Title
Research Fellow on AI for Molecules, School of Computing
Employer
National University of Singapore
Location
Kent Ridge Campus
Published
Nov 2, 2026
Closes:
Jan 1, 2027
Job type
Full time, Academic / Faculty, Computer Science
Field
Artificial Intelligence

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📋What is the Research Fellow on AI for Molecules, School of Computing?

This listing is for Research Fellow on AI for Molecules, School of Computing at National University of Singapore.

📍Where is this role located?

The listed location is Kent Ridge Campus.

💰What is the salary?

Salary is not listed on this posting.

📅When do applications close?

Applications close on Jan 1, 2027.

💼What type of appointment is this?

The listed type is Full time.

📝How do I apply?

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About the employer

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