Xiangyuan Carl Cui

Dr. Xiangyuan Carl Cui is a Research Fellow in Computational Methods at the Australian Centre for Microscopy and Microanalysis and the School of Aerospace, Mechanical and Mechatronic Engineering at the University of Sydney. He holds a PhD from the University of Salford (UK). His research focuses on computational simulations of advanced materials using density functional theory (DFT) and molecular dynamics, particularly in understanding atomic-scale phenomena in materials such as perovskites, alloys, and nanomaterials. His work bridges microscopy data with computational modeling to optimize material properties for applications in energy, electronics, and structural engineering.

Key research interests include grain boundary engineering in metals, defect control in perovskite solar cells, and the development of novel functional materials through computational design. Cui has contributed to high-impact studies on titanium alloys, shear thickening fluids, and additive manufacturing processes.

His publications (2025–2010) span topics such as perovskite solar cell stability, nanomaterial magnetism, and alloy microstructure optimization. He collaborates extensively with experimentalists to validate computational findings, emphasizing interdisciplinary approaches in materials science.