教育经历博士: 瑞典皇家工学院(2011) 博士: 南京大学 (2010) 本科: 南京大学 (2004) 工作经历2016.12至今 南京理工大学,理学院应用物理系,“青年拔尖人才选聘计划”教授 2015-2016 瑞典皇家工学院,博士后 2013-2015 美国加利福尼亚大学尔湾分校,博士后 2011-2013 瑞典皇家工学院,博士后 指导学科
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社会、学会及学术兼职出版专著和教材科研创新科研项目主持国家级科研项目: (5)芯电子激发态的量子波包动力学研究 国家自然科学基金(面上项目, 物理/原子分子物理 12274229 ), 2023-2026, [项目负责人] (4)分子超快非线性X射线光谱的理论研究: 计算方法发展与应用 国家自然科学基金(面上项目, 物理/原子分子物理 A040302/11774174), 2018-2021, [项目负责人] (3) 3d过渡金属体系L边X射线吸收光谱的多参考态量子化学研究 国家自然科学基金(青年项目, 化学/量子化学 B030201/21703105), 2018-2020, [项目负责人] (2)Dynamics of x-ray-matter interaction with free-electron laser applications 瑞典科学基金会,2016-2019,[共同负责人](总人数2,本人排名第2) (1)First-Principles Simulation of L-edge XAS of Fe(II) Spin Crossover Complexes 瑞典Lars Hierta纪念基金会,2012, [项目负责人] 主持省、校级科研项目: (2)金属酶结构L边X射线光谱的多参考态理论研究 江苏省自然科学基金青年项目(BK20170833),2017.7-2020.6,[项目负责人],已结题 (1)传统及超快非线性X射线光谱的模拟 南京理工大学科研启动经费,2017-2018, [项目负责人] 主持教学与课程建设项目: (1)《诺贝尔物理、化学奖选讲:光、量子与结构》(Selected topics of Nobel Prizes in Physics and Chemistry: light, quanta, and structure) 南京理工大学课程建设经费“新生研讨课”,2019(2020年春开课) 教学活动本科教学课程: 研究生教学课程: 发表论文[1]. Thermally Activated Delayed Fluorescence in an Organic Cocrystal: Narrowing the Singlet Triplet Energy Gap via Charge Transfer, L. Su#, W. Hua#, Y. Liu, G. Tian, M. Chen, M. Chen, F. Yang, S. Wang, X. Zhang, Y. Luo, W. Hu*, Angew. Chem. Int. Ed. 2019, 58, 11311 [2]. Manipulating Spatial Alignment of Donor and Acceptor in Host-Guest MOF for TADF, X. Liu#, W. Hua#, H. X. Nie, M. Chen, Z. Chang*, X. H. Bu*, Natl. Sci. Rev. 2022, 9, nwab222 [3]. Study of double core hole excitations in molecules by X-ray double-quantum-coherence signals: a multi-configuration simulation, W. Hua, K. Bennett, Y. Zhang, Y. Luo, S. Mukamel, Chem. Sci. 2016, 7, 5922 [4]. Global Impact and Balancing Act: Deciphering the Effect of Fluorination on B 1s Binding Energies in Fluorinated h-BN Nanosheets, Y. Xiao#, J.-R. Zhang#, S.-Y. Wang, W Hua*, Prec. Chem. 2024, 00, 00 [5]. Transient X-ray absorption spectral fingerprints of the S1 dark state in uracil, W. Hua*, S. Mukamel*, Y. Luo, J. Phys. Chem. Lett. 2019, 10, 7172 [Supplementary journal cover] [Highlighted by ACS Live Slides] (Video in MP4 format) [6]. MCNOX: A code for computing and interpreting ultrafast nonlinear X-ray spectra of molecules at the multiconfigurational level, W. Hua*, Comput. Phys. Commun. 2024, 296, 109016 [7]. Interpreting the Cu−O2 Antibonding Nature in Two Cu−O2 Complexes from Cu L‑Edge X‑ray Absorption Spectra, S.-Y. Wang, J.-R. Zhang, M. Guo, and W. Hua*, Inorg. Chem .2023, 62,17115 [Supplementary journal cover] [8]. Accurate K-edge X-ray photoelectron and absorption spectra of g-C3N4 nanosheet by first-principles simulations and reinterpretations, J. Zhang#, Y. Ma#, S. Wang, J. Ding, B. Gao, E. Kan, W. Hua*, PCCP 2019, 21, 22819, [2019 Hot PCCP Article] [9]. Monitoring conical intersections in the ring opening of furan by Attosecond Stimulated X-ray Raman Spectroscopy, W. Hua#, S. Oesterling#, J. D. Biggs, Y. Zhang, H. Ando, R. de Vivie-Riedle, B. P. Fingerhut, and S. Mukamel, Struct. Dyn. 2016, 3, 023601. [Most Read Articles in Structural Dynamics in 2016] [10]. Geometry optimizations and vibrational spectra of large molecules from a generalized energy-based fragmentation approach, W. Hua, T. Fang, W. Li, J. G. Yu, S. Li*, J. Phys. Chem. A 2008, 112, 10864.
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