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Imperial Global Singapore Secures Major AI4Science Grants for Chemistry and Computing Research

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Imperial Global Singapore has secured two landmark research grants totaling nearly S$20 million under Singapore’s AI4Science initiative. These awards position the hub at the forefront of artificial intelligence applications in chemistry and computing, fostering deep collaborations with leading local institutions.

Background on Imperial Global Singapore and AI4Science Initiative

Imperial Global Singapore serves as Imperial College London’s dedicated research and innovation hub in the city-state, located at the National Research Foundation’s Campus for Research Excellence and Technological Enterprise (CREATE). Launched in 2024, the centre builds on longstanding UK-Singapore ties to address global challenges through joint scientific efforts. Singapore’s National Research Foundation (NRF) drives the AI4Science programme as part of the broader National AI Strategy, aiming to integrate advanced AI methods into core scientific domains to boost discovery speed and impact.

Grant Overview: Two S$10 Million Programmes

The newly awarded grants each carry approximately S$10 million in funding. One focuses on accelerating catalyst discovery for sustainable chemistry, while the other targets enhanced software reliability and verification in an era of AI-generated code. Both programmes run for four to five years and will expand research capacity at the Singapore hub, including additional staff and infrastructure.

AI-Driven Catalyst Discovery in Chemistry

The chemistry-focused programme, titled Overcoming the Terascale Design Challenge, partners Imperial with the Agency for Science, Technology and Research (A*STAR). Co-led by Imperial professors Aron Walsh and Mimi Hii alongside A*STAR’s Professor Yew-Soon Ong, the initiative develops a cloud-based AI platform and Surface Science Foundation Model. Traditional catalyst discovery often spans decades of trial-and-error; the new approach promises up to 500-fold acceleration in computational screening for materials suited to clean fuels, CO₂ utilisation, and bio-based chemicals.

Researchers will combine high-throughput screening, automated experimentation, and closed-loop AI systems that learn from simulations and lab results. Expected outputs include open-source tools accessible globally, alongside training programmes for the next generation of digital chemists.

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Advancing Software Reliability Through AI in Computing

The computing programme, AI for Program Reasoning, collaborates with the National University of Singapore (NUS) and additional partners including Singapore Management University, MIT, and ETH Zurich. Led by Imperial’s Professor Cristian Cadar and NUS Professor Abhik Roychoudhury, it addresses the growing challenge of verifying correctness and security in software, particularly code produced by large language models.

Key pillars include democratising formal reasoning tools across languages, advancing code-focused AI models beyond generation toward verifiable reasoning, and automating specification inference for large systems such as the Linux kernel. Demonstrators will feature custom reasoning engines and AI agents capable of repairing both code and proofs, supporting Singapore’s digital economy ambitions.

Local Partners and Collaborative Framework

Strong local engagement defines both awards. A*STAR brings deep expertise in materials and AI, while NUS contributes world-class computing strengths. The programmes align with CREATE’s interdisciplinary model, enabling seamless researcher exchanges between London and Singapore. Additional ties to institutions such as NTU Singapore through prior Imperial Global Singapore initiatives further enrich the ecosystem.

Implications for Singapore’s Higher Education and Research Landscape

These grants underscore Singapore’s strategic push to lead in AI-augmented science. Universities and research institutes gain access to cutting-edge projects that attract international talent and funding. Early-career researchers benefit from cross-border training, while industry partners in clean energy, pharmaceuticals, and software security stand to translate findings rapidly into applications. The initiatives also reinforce Singapore’s position as a global hub for trustworthy AI development.

Expert Perspectives and Expected Outcomes

Academic Director Professor Azra Ghani highlighted how the awards exemplify AI’s transformative potential across domains. NRF representatives emphasised the global relevance of solutions emerging from Singapore labs. Project leads stressed open science principles, with platforms and benchmarks designed for widespread adoption. Over the funding periods, deliverables range from foundation models and verification tools to peer-reviewed publications and demonstrator systems.

Future Outlook and Broader Impact

Building on earlier Imperial Global Singapore programmes such as IN-CYPHER in health cybersecurity, these AI4Science awards signal sustained growth. They contribute to national goals around research commercialisation, talent development, and sustainable innovation. As AI capabilities evolve, the frameworks established here could serve as templates for similar international collaborations worldwide, accelerating scientific progress while upholding rigorous standards of reliability and safety.

Stakeholders across academia, government, and industry are encouraged to monitor progress through Imperial Global Singapore updates and NRF channels for emerging opportunities in joint research or talent pipelines.

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Frequently Asked Questions

🔬What are the AI4Science grants awarded to Imperial Global Singapore?

Imperial Global Singapore has received two grants of approximately S$10 million each under Singapore’s National Research Foundation AI4Science initiative. One supports AI-accelerated catalyst discovery in chemistry with A*STAR; the other advances AI for program reasoning and software verification with NUS.

🤝Which local Singapore partners are involved in these grants?

Key partners include the Agency for Science, Technology and Research (A*STAR) for the chemistry programme and the National University of Singapore (NUS) for the computing programme, along with additional collaborators such as Singapore Management University.

⚗️How will the chemistry grant accelerate catalyst discovery?

The programme develops a Surface Science Foundation Model and cloud-based AI platform to achieve up to 500-fold faster computational screening of catalyst candidates for sustainable chemical processes and clean energy applications.

💻What is the focus of the computing-focused AI4Science grant?

The grant targets AI-enhanced program reasoning to improve software correctness, security, and verification, especially for AI-generated code, with applications to critical systems like operating kernels.

🏛️Where will the research be hosted?

Both programmes will be hosted at Imperial Global Singapore’s facilities within the NRF CREATE campus, enabling seamless collaboration between UK and Singapore researchers.

🌏What are the expected broader impacts on Singapore’s research ecosystem?

The awards will expand research capacity, train early-career scientists in AI methods, support industry translation in clean energy and digital sectors, and strengthen Singapore’s global leadership in trustworthy AI for science.

📈How do these grants build on previous Imperial Global Singapore work?

They extend earlier NRF-funded initiatives such as IN-CYPHER in health cybersecurity and decarbonisation projects, scaling operations and deepening ties with local universities and research institutes.

👩‍🔬Who are the lead researchers on the projects?

Chemistry programme co-leads include Professors Aron Walsh and Mimi Hii from Imperial alongside Professor Yew-Soon Ong of A*STAR. Computing programme leads are Professor Cristian Cadar from Imperial and Professor Abhik Roychoudhury from NUS.

🌐Will outputs from these grants be made openly available?

Yes, the programmes emphasise open science with plans for open-source platforms, benchmarks, and tools accessible to the global research community.

📬How can researchers or institutions engage with these programmes?

Opportunities for collaboration, talent exchange, or follow-on projects will be shared via Imperial Global Singapore updates and NRF communications channels.