赵润东 - 北京航空航天大学

个人简介

教育及工作经历 2006-2010 山东大学物理学院，理学学士 2010-2015 北京大学化学与分子工程学院，理学博士 2016-2017 香港浸会大学物理系，博士后（Michel A. Van Hove） 2018-2020 杜克大学材料系，博士后（Volker Blum） 2021- 北京航空航天大学物理学院，副教授 1989年5月生，北京航空航天大学副教授、博导，国家级青年人才，研究领域为电子结构理论，包括理论方法的发展、大型密度泛函程序的开发、体相及表面物理化学的计算应用等，主要关注重元素材料的相对论效应及强关联效应。是大型第一性原理计算程序FHI-aims的核心开发者，基于数值原子轨道开发了固体物理领域首个能够应用于大体系计算的全相对论算法。主要工作发表于Phys. Rev. B, J. Chem. Phys., Nat. Comm. 等刊物，担任APS, ACS, RSC系列杂志审稿人，在国际会议上做邀请报告及口头报告5次，国内报告十余次。获国家青年海外高层次人才引进计划资助，主持国家自然科学基金、科技部国家重点研发计划等纵向在研经费500万。授课本科生《固体物理II》、研究生《固体理论》、研究生《电子结构理论、程序与计算应用》

研究领域

基于全相对论狄拉克方程的杂化密度泛函理论与程序开发稀土磁性材料，涉及自旋轨道耦合、强关联效应的磁性体系分子机器（分子马达、分子齿轮）的理论设计与计算

近期论文

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Xiaobo Li*, Fei Qi, Rundong Zhao, Zijie Qiu, Yun Li, Mengqiu Long, Guanghui Zhou. "Multi-Functional Switch Effect in Interlocking Molecular Rotators-on-Graphene Systems Using Electric Fields". Journal of Materials Chemistry C (2022) Rundong Zhao*, Victor Wen-zhe Yu, Kimberly Zhang, Yunlong Xiao, Yong Zhang, Volker Blum*. “Quasi-four-component method with numeric atom-centered orbitals for relativistic density functional simulations of molecules and solids”. Phys. Rev. B, 103, 245144 (2021) Editor's Suggestion. Manoj K. Jana, Ruyi Song, Yi Xie, Rundong Zhao, Peter C. Sercel, Volker Blum, David B. Mitzi. "Structural descriptor for enhanced spin-splitting in 2D hybrid perovskites". Nat. Comm. (2021) Manoj K Jana, Ruyi Song, Haoliang Liu, Dipak Raj Khanal, Svenja M Janke, Rundong Zhao, Chi Liu, Z Valy Vardeny, Volker Blum, David B Mitzi. “Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling”. Nat. Comm., 11, 4699 (2020). Rundong Zhao, Fei Qi, Rui-Qin Zhang, Michel A. Van Hove*. “How Does the Flexibility of Molecules Affect the Performance of Molecular Rotors?” J. Phys. Chem. C, 122, 25067-25074 (2018). Rundong Zhao, Fei Qi, Yan-Ling Zhao, Klaus E. Hermann, Rui-Qin Zhang, Michel A. Van Hove*. “Interlocking Molecular Gear Chains Built on Surfaces”. J. Phys. Chem. Lett., 9(10), 2611 (2018). Rundong Zhao, Yan-Ling Zhao, Fei Qi, Klaus E. Hermann, Rui-Qin Zhang, Michel A. Van Hove*. “Interlocking Mechanism Between Molecular Gears Attached to Surfaces”. ACS Nano, 12(3), 3020 (2018). Chak-Shing Kwan, Rundong Zhao, Michel A. Van Hove, Zongwei Cai, Ken Cham-Fai Leung*. “Higher-generation type III-B rotaxane dendrimers with controlling particle size in three-dimensional molecular switching”. Nat. Comm., 9, 497 (2018). Yan-Ling Zhao, Rundong Zhao, Fei Qi, Rui-Qin Zhang, Michel A Van Hove. “Substrate-mediated and temperature-modulated long-range interactions between bromine adatom stripes on Cu (111)”. Appl. Surf. Sci., 463, 253-260 (2018). Faiz Ur Rahman, Rundong Zhao, Yanoar Pribadi Sarwono, Rui-Qin Zhang. “A scheme of numerical solution for three-dimensional isoelectronic series of hydrogen atom using one-dimensional basis functions”. Int. J. Quantum Chem., 118, e25694 (2018). Klaus E. Hermann, Fei Qi, Rundong Zhao, Rui-Qin Zhang, Michel A. Van Hove. “Fragment Motion in Motor Molecules: Basic Concepts and Application to Intra-Molecular Rotations”. Phys. Chem. Chem. Phys., 20(33), 21487-21497 (2018). Rundong Zhao, Rui-Qin Zhang. “Intermolecular orbital interactions in π systems”. Mol. Phys., 116 (7-8), 978 (2018). Hong-Shuai Tao, Rundong Zhao, Yanoar Pribadi Sarwono, Rui-Qin Zhang. “Improved projected Green's function approach to electron tunneling lifetime calculations in quantum wells”. Phys. Rev. B., 96, 235428 (2017). Rundong Zhao, Rui-Qin Zhang. “Beyond the electrostatic model: the significant roles of orbital interaction and dispersion effects in aqueous-π systems”. Phys. Chem. Chem. Phys., 19, 1298 (2017). Rundong Zhao, Yanoar Pribadi Sarwono, Rui-Qin Zhang. “Tunneling lifetimes of electrons escaping from atoms under a static electric field”. J. Chem. Phys., 147, 064109 (2017). Rundong Zhao, Rui-Qin Zhang. “A new insight into π?π stacking involving remarkable orbital interactions”. Phys. Chem. Chem. Phys., 18, 25452 (2016). Rundong Zhao, Yong Zhang, Yunlong, Xiao, Wenjian Liu. “Exact two-component relativistic energy band theory and application”. J. Chem. Phys., 144, 044105 (2016).