Annual Review 2024-2025

S C I E N T I F I C S O F T WA R E , C O N T R O L S A N D C OM P U TAT I O N A N N U A L R E V I E W 2 0 2 4 / 2 5 40 many challenges in running what can be complex technological projects. An update to the provisioning of Identify and Access Management services is an example of a complex IT project that SSCC has managed. Diamond produced more than 12 PB (a PB of data is equivalent to 213,000 DVDs) of data last year from photon beamlines and electron microscopes. It is recognised that provisioning all computing services within Diamond is a key enabler to the operation of the facility. Update on the development of the new software for Diamond-II Significant advancements in Diamond’s software and computing capabilities are essential to fully leverage the Diamond-II upgrade and maximise scientific opportunities. Key developments required include: • handling faster detectors and delivering rapid data processing and reduction; • supporting greater automation of experiments, data reduction, and analysis; • introducing new data processing techniques, including AI and ML exploitation; • providing a more open software environment to enable development by scientists; • addressing obsolescence and modernising the beamline experiment management software stack; • adapting to changing needs and expectations of Diamond’s users. The Diamond-II core software and computing project focuses on the following areas: Scientific Software, Controls and Computation (SSCC) department manages all software, computing and control systems to facilitate and support the science programme of Diamond. The department functions as seven groups: Scientific Computing, Data Analysis, Data Acquisition, Beamline Controls, Accelerator Controls, Electronic Systems, and Scientific Information Management Systems. The overall structure and function of these areas recognises the importance of, and is optimised to provide, the best possible delivery and support for software, computing, and control systems. Over the past year there has been an increasing emphasis on planning for Diamond-II. SSCC will deliver new software, control systems and computing as part of the machine upgrade and beamline developments for Diamond-II. In addition, it was recognised that there needed to be developments in the underlying software and computing capabilities to prepare for the substantial increase in data rates that will come with Diamond-II. Advances in toolkits for applying Artificial Intelligence and Machine Learning (AI and ML) techniques have evolved considerably in recent years. They now provide an important opportunity to automate data reduction and analysis as part of the science programme but also to support business functionality. Diamond has an extensive scientific IT landscape, extending from high performance computing and storage solutions through to classic IT services. These systems have to be maintained and periodically updated to ensure they are fit for purpose. In doing so, the changes must not impact operation of the facility. This presents Scientific Software, Controls and Computation