\u958b\u50ac\u5834\u6240<\/strong> : Exhibit Hall D at the Hynes Convention Center
\u30d6\u30fc\u30b9<\/strong> : 319<\/p>\n\n\n\n
\u30d7\u30ec\u30bc\u30f3\u30c6\u30fc\u30b7\u30e7\u30f3\u8a73\u7d30<\/h2>\n\n\n\n
\u767a\u8868\u30bf\u30a4\u30c8\u30eb:<\/strong> Hydrogen Adsorption and Membrane Separation Performance in Amorphous Pd-Based Alloys Using a Universal Machine Learning Interatomic Potential<\/p>\n\n\n\n \u65e5\u6642:<\/strong> 2025\u5e7411\u67085\u65e5 10:23 AM – 10:36 AM\uff08\u30a2\u30e1\u30ea\u30ab\u6771\u90e8\u6a19\u6e96\u6642\uff09 In this study, we aim to understand the hydrogen adsorption mechanism and membrane separation performance in amorphous alloys at the molecular level using our universal machine learning interatomic potential, Preferred Potential (PFP), on a cloud service called Matlantis, and to obtain design guidelines leading to high performance.<\/p>\n\n\n\n Joshua Young \u767a\u8868\u30bf\u30a4\u30c8\u30eb:<\/strong> Pfp\/MM: A Universal Neural Network Potential Meets Classical Force Fields for Large-Scale Reactive Simulations <\/p>\n\n\n\n
\u90e8\u9580:<\/strong> Computational Molecular Science and Engineering Forum
\u30eb\u30fc\u30e0<\/strong>: Hynes Convention Center, 210
\u30bb\u30c3\u30b7\u30e7\u30f3\u30bf\u30a4\u30d7:<\/strong> \u53e3\u982d
\u767a\u8868\u8005:<\/strong> Joshua Young
\u8457\u8005:<\/strong> Taku Watanabe, Akihiro Nagoya, Joshua Young, Qing-Jie Li
\u6982\u8981: <\/strong>Membrane materials for highly efficient separation and purification of hydrogen are attracting attention for the realization of a sustainable energy society. In particular, Pd-based materials exhibit high permeability and selectivity as hydrogen separation membranes, but conventional crystalline Pd membranes have issues such as reduced lifespan due to hydrogen embrittlement and high costs. On the other hand, amorphous alloys, with their diverse local structures, are considered to be materials that can overcome some of the challenges of crystalline materials, and experimental and theoretical reports have shown the possibility of high hydrogen permeation performance and improved durability. However, their performance is highly dependent on composition, and there are many unresolved issues regarding the microscopic hydrogen permeation mechanisms and performance expression mechanisms.<\/p>\n\n\n\n![\"image_presentation\"](\"https:\/\/matlantis.com\/wp-content\/uploads\/2025\/10\/2025_aiche_pd-metallic-glass-1024x576.png\")
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<\/strong>Senior Application Scientist, Matlantis Inc (USA).
Joshua received his PhD in Materials Science and Engineering from Drexel University, followed by appointments at the Naval Research Laboratory, Binghamton University, and the New Jersey Institute of Technology. Over the course of his career, he has used a wide variety of computational techniques, including density functional theory, molecular dynamics, and materials informatics\/machine learning, to study and design materials for electronics, batteries, catalysis, and more.<\/p>\n<\/div>\n\n\n\n![\"presenter\"](\"https:\/\/matlantis.com\/wp-content\/uploads\/2025\/05\/Joshua_square.png\")
<\/figure>\n<\/div>\n<\/div>\n\n\n\nMatlantis\u306b\u95a2\u3059\u308b\u793e\u5916\u306e\u8b1b\u6f14<\/h2>\n\n\n\n
\u65e5\u6642:<\/strong> 2025\u5e7411\u67083\u65e5 4:30 PM – 4:42 PM\uff08\u30a2\u30e1\u30ea\u30ab\u6771\u90e8\u6a19\u6e96\u6642\uff09
\u90e8\u9580:<\/strong> Computational Molecular Science and Engineering Forum
\u30eb\u30fc\u30e0:<\/strong> 209 (Second Level, Hynes Convention Center)
\u30bb\u30c3\u30b7\u30e7\u30f3\u30bf\u30a4\u30d7:<\/strong> \u53e3\u982d
\u767a\u8868\u8005:<\/strong> Yu Miyazaki
\u8457\u8005:<\/strong> Yu Miyazaki, Atsuhiro Tomita, Hodaka Mori, Akihide Hayashi, Mizuki Takemoto
\u7d44\u7e54:<\/strong> Preferred Networks, inc.<\/p>\n\n\n\n