A chemist from the University of Nottingham has been included in a new recognition programme that honours the architects of scientific computing's new era.
The programme has been launched by Scientific Computing World to celebrate 75 of the most influential figures driving transformation and shaping the future of scientific computing.
Jonathan Hirst, Professor of Computational Chemistry is one of 75 leaders recognised for his work creating an Electronic Laboratory Notebook (ELN) that combines features, including data archival, collaboration tools, and green and sustainability metrics for organic chemistry. AI4Green is a web-based application, available as open-source code and free to use. It offers the core functionality of an ELN, namely, the ability to store reactions securely and share them among different members of a research team.
It is fantastic to see our work featured as part of this new recognition programme. Harnessing the capabilities of computing and AI, particularly in scientific research provides new possibilities for sharing knowledge and improving systems and processes in a consistent and measured way.
Scientific computing is no longer confined to specialist computing centres. Across laboratories, engineering teams, pharmaceutical companies and research-intensive industries, advanced computing infrastructure is becoming central to how discovery, simulation and innovation are delivered.
Bringing together leaders from high-performance computing (HPC), AI infrastructure, simulation, laboratory informatics, computational engineering and research computing, the SCW75 highlights the individuals translating increasingly complex technology into practical scientific and engineering outcomes.
The launch comes at a time of unprecedented investment across AI and scientific computing infrastructure. According to Hyperion Research, the HPC, AI and technical computing market grew by 23.5% in 2024 and is projected to exceed $100bn by 2028. Intersect360 Research reported that the worldwide market for accelerated and high-performance infrastructure serving AI workloads reached $193bn in 2024, up 121% year-on-year.
Yet the SCW75 reveals that the challenge facing scientific computing is no longer simply about building larger systems.
Across industries, organisations are grappling with the realities of scaling AI and HPC infrastructure while maintaining usability, governance, reproducibility and sustainability.
The SCW75 survey found that 57% of respondents expect scientific computing investment to increase over the next year, with many already managing infrastructure projects worth several million pounds. But as budgets rise, expectations are rising with them.
The programme also reflects how scientific computing is increasingly converging across disciplines. Bioinformaticians, automotive engineers, semiconductor researchers, computational chemists and simulation specialists may work in different sectors, but they now share common infrastructure demands: scalable compute, high-performance storage, workflow orchestration, trusted data management and AI-enabled software platforms.
In engineering, simulation and digital design are becoming increasingly central to product development. In life sciences, AI and computational methods are transforming genomics, drug discovery and laboratory workflows. Meanwhile, cloud computing, GPUs and accelerated infrastructure are reshaping how organisations approach research at scale.
The inaugural SCW75 features honourees from 14 countries across North America, Europe, Asia and the Middle East, reflecting the increasingly global nature of scientific computing leadership. The United States leads the list with 31 honourees, followed by the United Kingdom with 21 and Germany with 10.
The programme also highlights the growing contribution of women across scientific computing, simulation and HPC leadership. Women represent 31% of the inaugural list — a figure Scientific Computing World hopes will continue to grow in future editions.
Scientific computing has become one of the defining enabling technologies of modern research and engineering. The SCW75 exists to recognise the people making that infrastructure usable, scalable and impactful across industry and academia. These are the individuals helping turn computational investment into scientific progress.
