UK High-End Computing Consortium for X-ray Spectroscopy (HPC-CONEXS)

科学突破与技术发展密切相关，技术发展使物质的测量更加详细。一个很好的例子是飞秒激光器的发展，它开辟了超快光谱学领域。这对我们理解材料中的化学反应、生物功能和相变产生了巨大影响，因为它们能够实时探测这些不同类型系统中的核运动。随着能够提供高亮度超短X射线脉冲的工具的出现，X射线科学正在进行一场现代革命。英国通过钻石光源、对欧洲X-FEL的投资和世界领先的研究小组处于这些实验努力的最前沿。至关重要的是，X射线光谱观测的复杂性质和高信息背景意味着需要实验和理论之间的强大协同作用。自2019年以来，X射线光谱学合作网络（CONEXS，EP/S 022058/1）已经在X射线光谱学领域建立了一个由600多名研究人员组成的强大社区，主要关注培养实验和理论之间的强大协同作用。通过提供最先进的计算设施，英国X射线光谱高端计算联盟（HPC-CONEXS）将开发计算工具，以推进实验数据的详细分析。它还将为专家和非专家提供资源和培训，以进一步加强实验和理论之间的协同作用，确保联合王国在这一领域的研究和投资产生最大影响。

Scientific breakthroughs are strongly associated with technological developments, which enable the measurement of matter to an increased level of detail. A prime example of this is the development of femtosecond lasers, which opened up the field of ultrafast spectroscopy. This had a huge impact on our understanding of chemical reactions, biological functions and phase transitions in materials owing to their ability to probe, in real-time, the nuclear motion within these different types of systems. A modern revolution is underway in X-ray science with the emergence of tools capable of delivering high-brilliance ultrashort pulses of X-rays. The UK, through the Diamond Light source, investment into the European X-FEL and world-leading research groups are at the forefront of these experimental endeavors. Crucially, the complicated nature and high information context of X-ray spectroscopic observables means that a strong synergy between experiment and theory is required. Since 2019, the COllaborative NEtwork for X-ray Spectroscopy (CONEXS, EP/S022058/1) has established a strong community of over 600 researchers in the area of X-ray spectroscopy, with a primary focus ofnurturing a strong synergy between experiment and theory. Through providing access to state-of-the-art computing facilities, the UK High-End Computing Consortium for X-ray Spectroscopy (HPC-CONEXS) will develop computational tools to advance the detailed analysis of experimental data. It will also provide resources and training for both experts and non-experts to further enhance the synergy between experiment and theory ensuring maximum impact from the UK's research and investment in this area.