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Enabling AI for Science, Accelerating Discovery - the N8/Bede: AI4Science Project

This EPSRC funded project (October 1st 2025 to March 31st 2026) brought together dRTP expertise and N8-CIR resources to facilitate the uptake of Artificial Intelligence (AI) in scientific research.

The project carried out a number of dRTP led interventions to help researchers overcome barriers to entry and produced six case studies to describe this work. These are listed below and include links to useful software.

Enabling AI for Science Background & Motivation

“ML Container Toolkit”: a container system for streamlining AI model deployment on Bede/HPC platforms

Ben Thorpe, University of York

Bridging the Gap: an onboarding guide for streamlined access to a biological imaging machine learning toolkit

Tamora James, University of Sheffield

Deep-Learning Driven Adaptive Molecular Simulations on BEDE

Nikolai Juraschko, University of Oxford

Evaluating AI Workflows using the Causal Testing Framework on Bede

Farhad Allian, University of Sheffield

Streamlining Materials Modeling: A Unified Entry Point for Matbench Discovery Models in CASTEP

Ben Thorpe, University of York

TextToSpeech with OpenAI’s Whisper on Bede

Samantha Finnigan & Paul Niklas Ruth, University of Durham

N8/Bede: AI4Science Project, EPSRC: UKRI2699

We are grateful to the EPSRC for funding this work and to contributions from the various project partners and team:

University of Durham (Project Lead)

  • Alan Real, Director of Advanced Research Computing, University of Durham, Technical Director of the N8-CIR & Director of the EPSRC Tier-2 HPC service Bede
  • Samantha Finnigan, Senior Research Software Engineer, ARC.
  • Paul Ruth Niklas, Research Software Engineer, ARC.
  • Karen Bower, Senior Research Computing Officer
  • Nikola Nikolov, AIMLAC CDT Placement Student (Aberystwyth University).

University of York

  • Matt Probert, Director of the N8-CIR, Professor in the School of Physics, Engineering and Technology, University of York.
  • Ben Thorpe, Research Software Engineer.

University of Sheffield

  • Saul Cozens, Head of Research and Innovation IT
  • Edwin Brown, Senior Research Software Engineer
  • Emma Barker, Centre Manager, Centre for Machine Intelligence
  • Tamora James, Research Software Engineer
  • Farhad Allian, Research Software Engineer

University of Oxford

  • Syma Khalid, Professor of Computational Microbiology
  • Nikolai Juraschko, DPhil student

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