Editorial summary

The company is seeking (Senior) Research Fellows to join a pioneering research project focused on developing next-generation efficient AI frameworks for surface science and catalysis. The role involves contributing to an innovative programme aimed at transforming scientific discovery through autonomous and adaptive AI solutions. Candidates should possess relevant research experience in AI, surface science, or catalysis. The position offers a salary of 12,000.

This summary is AI-generated and may contain inaccuracies. Please refer to the full job description below.

Job description

[This job id 19986 first appeared in Job-Q.com on 15 Jul 2026]

A*STAR Research Entities and Imperial Global Singapore, Imperial College London’s formal research and innovation entity in Singapore are seeking (Senior) Research Fellows to join the exciting new Overcoming the Terascale Design Challenge: Next-Generation Efficient AI for Discoveries in Surface Science and Catalysis research project, an ambitious research programme establishing a next-generation efficient Artificial Intelligence (AI) framework for accelerated discoveries in surface science and catalysis, transforming the scientific discovery process into an adaptive, autonomous, and self-improving cycle.  

To achieve the goal, Terascale will build building a Foundation Model (FM) for surface science, including the construction of next-generation, resource-efficient AI models to accelerate the informatics of surface and interface structures, predicting synthesis conditions, properties, and functionalities vital for catalysis, advanced coatings, and thin films.  

We are particularly looking for candidates with backgrounds in areas such as: 

• Computational materials design, including atomistic and electronic structure approaches 
• AI for materials science, including interatomic potentials and generative AI 
• Automated materials science workflows, including tools such as atomate2 
• Agentic workflows for scientific campaigns, including harnesses for reasoning models 

As a member of the Terascale project, the successful candidate will contribute to fundamental research as part of a consortium, including AI and experimental research at A*STAR. This will involve developing practical tools, benchmarks, and research outputs for catalysis design that can influence both academia and real-world software engineering practice. 

The project offers a unique opportunity to work on cutting-edge problems around the use of AI for science, combining theoretical depth with practical impact. We are seeking highly motivated researchers who are excited by interdisciplinary work across AI and materials science, and who are keen to help shape a fast-moving and internationally important research area. 

We welcome candidates who are self-motivated, collaborative, and enthusiastic about producing high-quality research. The positions come with a high level of independence including shaping of the research programme. A strong publication record consistent with the candidate’s career stage is expected, alongside the ability to work creatively across disciplinary boundaries and contribute to a vibrant research environment. 

The research programme represents a collaboration between the United Kingdom and Singapore and will be based at Imperial Global Singapore (IGS). Candidates will be employed by Imperial Global Singapore, a research division of Imperial College London, consistently ranked within the top 10 of the QS University Rankings. Candidates must be resident and based in Singapore, but there will be opportunities for research visits to Imperial’s London-based locations. 

Questions about the recruitment process, should go to the HR at Imperial Global Singapore hrigsingapore@imperial.ac.uk.

Contract type: 2 year fixed term in first instance, extendable upon mutual agreement (subject to probation period) 

Key Responsibilities 

Main Duties  

• Take initiative in planning and conducting independent research aligned with the aims of the Terascale project. 
• Develop and apply suitable methodologies for research for AI for science and catalyst discovery. 
• Design, implement, and evaluate novel models, algorithms, tools, or benchmarks relevant to Terascale and AI-assisted software analysis. 
• Maintain highly organised, accurate, and reproducible records of research activities, code, experiments, and results. 
• Maintain and promote the highest standards of scientific integrity, rigour, and research ethics. 
• Actively contribute to all aspects of the Terascale research programme, including theoretical, empirical, and collaborative work. 
• Report research progress and outcomes internally and externally to project collaborators, funders, and the wider research community. 
• Present findings to colleagues and at national and international conferences, workshops, and seminars. 
• Publish research outcomes in high-quality refereed conferences and journals. 
• Collaborate with academic and interdisciplinary partners to advance research ideas and support their translation into broadly useful methods, tools, or scientific impact. 
• Contribute to the development of open research resources, such as datasets, benchmarks, software prototypes, or reproducible research artefacts where appropriate. 
• Build and maintain research collaborations within Imperial College London and with external collaborators in the wider AI, programming languages, and formal methods communities. 
• Promote the visibility and reputation of the Terascale project and the host research group through excellent research, engagement, and professional representation. 
• Contribute to the preparation of research proposals and funding applications to support the future development of the project. 
• Participate actively in group meetings, reading groups, internal seminars, and project workshops. 
• Contribute to the smooth running of the research group and project activities, including collaborative planning and knowledge sharing. 
• Assist in the supervision and mentoring of students, interns, or junior researchers where appropriate. 
• Keep up to date with relevant scientific literature and emerging developments in AI, program reasoning, formal methods, and related areas. 
• Comply with institutional policies and procedures, including those relating to research governance, data management, and responsible research practice. 
• Undertake any other duties reasonably requested by the Principal Investigator or project leads in support of the Terascale research programme. 

Other Duties

• Undertake any necessary training and/or development
• Undertake appropriate administration tasks
• Attend relevant meetings
• Observe and comply with all IGS policies and regulations, including the key policies and procedures on:

– Confidentiality,

– Conflict of Interest

– Business Continuity

– Data Protection

– Equal Opportunities

– Ethics related to scientific conduct and to considerations of patient data, where appropriate

– External Interests

– Financial Regulations

– Health and Safety

– Use of Information Technology

– Policies regarding smoking and e-cigarettes

– Undertake specific safety responsibilities relevant to individual roles, as set out by IGS

Positions are based in Singapore at Imperial Global Singapore at the National Research Foundations Campus for Research Excellence and Technological Enterprise (CREATE) located on the campus of the National University of Singapore

Job descriptions cannot be exhaustive and the post holder may be required to undertake other duties, which are broadly in line with the above key responsibilities.

Imperial Global Singapore is committed to equality and values diversity. IGS adheres to Imperial Values and Behaviours framework.

Person Specification

Requirements

Candidates/post holders will be expected to demonstrate the following Essential (E) / Desirable (D)

Education

a PhD (or equivalent) in chemistry, materials, physics or computer science with a strong emphasis on artificial intelligence for science. (E) 

At Senior Research Fellow: 2 to 5 years of post-doctoral research in an area relevant to the Terascale Project (E) 

Experience

Practical experience within a research environment and publication in relevant peer reviewed conference and/or journals. (E) 

Strong publication record commensurate with the candidate’s career stage (E) 

Experience in the design, implementation, evaluation, and interpretation of computational experiments and scientific data. (E) 

Practical experience in one or more of the following tools, techniques, or areas: machine learning interatomic potentials, generative AI, automated and agentic workflows. (E) 

Experience of strongly interdisciplinary research, particularly across modelling and experiment. (D) 

Experience of collaborating on research software, shared codebases, or open-source tools. (D) 

Experience of working with and supervising students on undergraduate and/or postgraduate research projects (D) 

Knowledge

Knowledge of research methods relevant to AI for materials science (E) 

Knowledge of cutting edge machine learning methods, model evaluation, and experimental design in chemistry and materials. (E) 

Knowledge of one or more of the following areas: machine learning interatomic potentials, generative AI, automated and agentic workflows. (E)

Skills & Abilities

Ability to conduct detailed and critical reviews of recent literature. (E) 

Ability to develop and apply new research ideas, methods, and concepts. (E) 

A creative and rigorous approach to problem-solving. (E) 

Excellent verbal communication skills and the ability to collaborate effectively with researchers from different backgrounds. (E) 

Excellent written communication skills and the ability to write for scientific publication to achieve impact. (E) 

Ability to contribute to or lead research activities, and to help motivate others to produce work to a high standard. (E) 

Ability to organise and manage own research with a high degree of independence. (E)

Ability to prioritise work effectively in response to project needs and deadlines. (E)

A skill set aligned with at least one of the core research areas of the Terascale project (E)

Strong programming skills relevant to AI and computational research (E) 

Other

Willingness to work as part of a team and to be open-minded and cooperative (E) 

A flexible attitude towards work (E) 

High level of discipline and regard for confidentiality and security at all times (E) 

Willingness to undertake any necessary training for the role (E) 

Willingness to travel both within the Singapore and to the United Kingdom, and other destinations as required to conduct and disseminate research (E) 

Willingness to work out of normal working hours to accommodate the timezone difference between Singapore and UK (E) 

Imperial Global Singapore is committed to equality of opportunity and to eliminating discrimination. All employees are expected to:

1) Champion a positive approach to change and opportunity

2) Encourage inclusive participation and eliminate discrimination

3) Communicate regularly and effectively within and across teams

4) Consider the thoughts and expectations of others

5) Deliver positive outcomes

6) Develop and grow skills and expertise

7) Work in a planned and managed way

Employees are also required to comply with all IGS policies and regulations, paying special attention to:

• Confidentiality

• Conflict of Interest

• Data Protection

• Equal Opportunities

• Financial Regulations

• Health and Safety

• Information Technology

• Smoking

• Private Engagements and Register of Interests

• The regulations of CREATE Tower and of Singapore

They must also undertake specific training and assume responsibility for safety relevant to specific roles, as set out on the 

College Website Health and Safety Structure and Responsibilities page.

IGS observes the San-Francisco Declaration on Research Assessment (DORA), which means that in hiring and promotion decisions, we evaluate applicants on the quality of their work, not the journal impact factor where it is published.  

IGS believes that the use of animals in research is vital to improve human and animal health and welfare. Animals may only be used in research programmes where their use is shown to be necessary for developing new treatments and making medical advances. IGS is committed to ensuring that, in cases where this research is deemed essential, animals in are treated with full respect, and that any and all staff involved with this work show due consideration at every level. For further details, applicants are directed to:  

http://www.imperial.ac.uk/research-and-innovation/about-imperial-research/research-integrity/animal-research/  

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