首页|National University of Singapore Reports Findings in Nanoporous (Exploiting Meta l-Organic Frameworks for Vinylidene Fluoride Adsorption: From Force Field Develo pment, Computational Screening to Machine Learning)
National University of Singapore Reports Findings in Nanoporous (Exploiting Meta l-Organic Frameworks for Vinylidene Fluoride Adsorption: From Force Field Develo pment, Computational Screening to Machine Learning)
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By a News Reporter-Staff News Editor at Robotics & Machine Learning Daily News – New research on Nanotechnology - Nanoporous is th e subject of a report. According to news reporting from Singapore, Singapore, by NewsRx journalists, research stated, “Metal-organic frameworks (MOFs) represent a distinctive class of nanoporous materials with considerable potential across a wide range of applications. Recently, a handful of MOFs has been explored for the storage of environmentally hazardous fluorinated gases (Keasler et al. 2023, 381, 1455), yet the potential of over 100,000 MOFs for this specific applicatio n has not been thoroughly investigated, particularly due to the absence of an es tablished force field.” The news correspondents obtained a quote from the research from the National Uni versity of Singapore, “In this study, we develop an accurate force field for non aversive hydrofluorocarbon vinylidene fluoride (VDF) and conduct high-throughput computational screening to identify top-performing MOFs with high VDF adsorptio n capacities. Quantitative structure-property relationships are analyzed via mac hine learning models on the combinations of geometric, chemical, and topological features, followed by feature importance analysis to probe the effects of these features on VDF adsorption. Finally, from detailed structural analysis via radi al distribution functions and spatial densities, we elucidate the significance o f different interaction modes between VDF and metal nodes in top-performing MOFs .”
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