Qimin YanAssistant Professor of PhysicsPh.D., University of California, Santa BarbaraSERC, Room 432

Research Interests
My research is focused on novel solidstate material systems and their properties, with emphasis on the discovery and understanding of complex inorganic phases for energy conversion and quantum technologies. For much of my work, I draw upon contemporary “firstprinciples” density functional theory and datadriven approaches (such as machine learning). My group is working on several research topics including the incorporation of physical principles in deep learning architectures for solidstate materials, defect spin qubits in twodimensional materials for quantum computing, discovering exotic topological states in 2D materials and their heterojunctions, and understanding the catalytic performance of nanostructured materials. A major theme of my group’s work is to devise computational methods and datadriven tools that exploit connections between these disparate materials classes and phenomena to design new materials for energy and quantum applications and understand novel quantum phenomena at the frontiers of physics, materials science, and chemistry.
Key Publications
 J.Y. Tsai, J. Pan, H. Lin, A. Bansil, Q. Yan, “Antisite defect qubits in monolayer transition metal dichalcogenides”, Nat. Commun. 13, 492 (2022).
 H. R. Banjade, S. Hauri, S. Zhang, F. Ricci, W. Gong, G. Hautier, S. Vucetic, Q. Yan, “Structure motif centric learning framework for inorganic crystalline systems”, Sci. Adv., 7, eabf1754 (2021).
 Y. F. Zhang, J. Pan, H. Banjade, J. Yu, H. Lin, A. Bansil, S. Du, Q. Yan, “Twodimensional MX Dirac materials and quantum spin Hall insulators with tunable electronic and topological properties”, Nano Res. 14, 584 (2021).
 J. Pan, Y. F. Zhang, J. Zhang, H. Banjade, J. Yu, L. Yu, S. Du, A. Ruzsinszky, Z. Hu, Q. Yan, “Auxetic twodimensional transition metal selenides and halides” npj Comput. Mater. 6, 154 (2020).
 J. Pan, J. B. Yu, Y. F. Zhang, S. Du, A. Janotti, C. X. Liu, Q. Yan, “Quantum anomalous Hall effect in twodimensional magnetic insulator heterojunctions” npj Comput. Mater. 6, 152 (2020).
 Q. Zhou, P. Tang, S. Liu, J. Pan, Q. Yan, S. C. Zhang, “Learning atoms for materials discovery”, PNAS 115, E6411 (2018).
 L. Yu, Q. Yan, A. Ruzsinszky, “Negative Poisson’s Ratio in 1TType Crystalline TwoDimensional Transition Metal Dichalcogenides”, Nat. Commun. 8, 15224 (2017).
 J. Wang, X. Sui, W. Shi, J. Pan, S. Zhang, F. Liu, S.H. Wei, Q. Yan, B. Huang, “Prediction of Ideal Topological Semimetals with Triply Degenerate Points in the NaCu3Te2 Family”, Phys. Rev. Lett. 119, 256402 (2017).
 Q. Yan, J. Yu, S. K. Suram, L. Zhou, A. Shinde, P. Newhouse, W. Chen, G. Li, K. A. Persson, J. M. Gregoire, J. B. Neaton, “Solar fuels photoanode materials discovery by integrating highthroughput theory and experiment”, PNAS 114, 3040 (2017).
 Q. Yan, B. Huang, J. Yu, F. Zheng, J. Zang, J. Wu, B. L. Gu, F. Liu, and W. H. Duan, "Intrinsic currentvoltage characteristics of graphene nanoribbon transistors and effect of edge doping", Nano Lett. 7, 1469 (2007).