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Inferring effective electrostatic interaction of charge-stabilized colloids from scattering using deep learning
期刊文章

Inferring effective electrostatic interaction of charge-stabilized colloids from scattering using deep learning

Chi-Huan Tung, Meng-Zhe Chen, Hsin-Lung Chen, 冠榮 黃, Lionel Porcar, Ming-Ching Chang, Jan-Michael Carrillo, Yangyang Wang, Bobby G. Sumpter, Yuya Shinohara, …
Journal of Applied Crystallography
01/08/2024

摘要

Charge-stabilized Colloids;Small-angle Scattering;Deep Learning;Structure Factors;Potential Inversion

An innovative strategy is presented that incorporates deep auto-encoder networks into a least-squares fitting framework to address the potential inversion problem in small-angle scattering. To evaluate the performance of the proposed approach, a detailed case study focusing on charged colloidal suspensions was carried out. The results clearly indicate that a deep learning solution offers a reliable and quantitative method for studying molecular interactions. The approach surpasses existing deterministic approaches with respect to both numerical accuracy and computational efficiency. Overall, this work demonstrates the potential of deep learning techniques in tackling complex problems in soft-matter structures and beyond.

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