结束语:法拉第核磁共振晶体学讨论。

IF 3.3 3区 化学 Q2 CHEMISTRY, PHYSICAL
Sharon E Ashbrook
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引用次数: 0

摘要

本次法拉第讨论会探讨了核磁共振晶体学领域,并审议了实验和理论方法的最新发展、机器学习的新进展以及大量数据的生成和处理。对各种无序、无定形和动态系统的应用展示了这种方法可提供的信息的范围和质量,以及在利用自动化和开发最佳实践方面所面临的挑战。在结束语中,我将反思有关当前技术水平的讨论、我们希望从这些研究中得到什么、我们需要多精确的结果、我们如何最好地为复杂材料生成模型以及机器学习方法可以提供什么等问题。最后,我将对该领域的未来发展方向、谁将开展此类研究、如何开展研究、研究重点以及可能面临的挑战和机遇进行思考。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Concluding remarks: Faraday Discussion on NMR crystallography.

This Faraday Discussion explored the field of NMR crystallography, and considered recent developments in experimental and theoretical approaches, new advances in machine learning and in the generation and handling of large amounts of data. Applications to a wide range of disordered, amorphous and dynamic systems demonstrated the range and quality of information available from this approach and the challenges that are faced in exploiting automation and developing best practice. In these closing remarks I will reflect on the discussions on the current state of the art, questions about what we want from these studies, how accurate we need results to be, how we best generate models for complex materials and what machine learning approaches can offer. These remarks close with thoughts about the future direction of the field, who will be carrying out this type of research, how they might be doing it and what their focus will be, along with likely possible challenges and opportunities.

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来源期刊
Faraday Discussions
Faraday Discussions 化学-物理化学
自引率
0.00%
发文量
259
期刊介绍: Discussion summary and research papers from discussion meetings that focus on rapidly developing areas of physical chemistry and its interfaces
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