Yi Liu (SHU, China)

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Yi Liu, representing Shanghai University (SHU) in China, brings expertise in computational materials science and engineering, with a particular focus on the application of AI and machine learning techniques in computational and experimental materials design and discovery. Liu's research involves developing algorithms and computational models to predict new materials with desired properties, optimizing material synthesis processes, and facilitating the integration of AI and computational tools in experimental research. Recent research interests include: (1) Development of “Center-Environment” feature model for machine learning study of alloy and ceramic; (2) Development of new generations of ReaxFF reactive force fields (e.g., all-carbon, C/H/O, C/H/O/N, Ni/Al/Re etc.); (3) AI-assisted iterative high-throughput experimental optimization of compositions and processing parameters.