Glasby Lawson T, Oktavian Rama, Zhu Kewei, Cordiner Joan L, Cole Jason C, Moghadam Peyman Z
Department of Chemical and Biological Engineering, The University of Sheffield, Sheffield, S1 3JD, United Kingdom.
Department of Chemical Engineering, University College London, London, WC1E 7JE, United Kingdom.
J Chem Inf Model. 2023 Oct 9;63(19):5950-5955. doi: 10.1021/acs.jcim.3c01190. Epub 2023 Sep 26.
Augmented reality (AR) is an emerging technique used to improve visualization and comprehension of complex 3D materials. This approach has been applied not only in the field of chemistry but also in real estate, physics, mechanical engineering, and many other areas. Here, we demonstrate the workflow for an app-free AR technique for visualization of metal-organic frameworks (MOFs) and other porous materials to investigate their crystal structures, topology, and gas adsorption sites. We think this workflow will serve as an additional tool for computational and experimental scientists working in the field for both research and educational purposes.
增强现实（AR）是一种新兴技术，用于改善对复杂三维材料的可视化和理解。这种方法不仅已应用于化学领域，还应用于房地产、物理、机械工程以及许多其他领域。在此，我们展示了一种无需应用程序的AR技术的工作流程，用于可视化金属有机框架（MOF）和其他多孔材料，以研究它们的晶体结构、拓扑结构和气体吸附位点。我们认为，该工作流程将成为该领域从事研究和教育工作的计算科学家和实验科学家的又一工具。
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