办 公 室: 第一教学楼 625

邮 箱: dr.niukai@gmail.com

研究方向：

非线性光谱学，界面化学

主要从事非线性光谱学研究，研究领域涵盖数学物理方法，原子与分子物理，界面化学及理论化学。我们专注于从机理方面解释光与物质相互作用所反映的结构及动力学问题。已在《Proc. Natl. Acad. Sci. USA》(中科院一区)、《J. Chem. Phys.》（中科院二区）、《J. Raman Spectrosc.》（中科院二区）等杂志发表论文十余篇，其中邀请章节一篇，邀请文章一篇。与国内外多个研究小组合作提出相关理论及共同设计相关计算机程序。相对成熟的程序有：密度矩阵理论相关程序、大分子飞秒非线性光谱程序、水表面和频谱绝对强度与谱线形状计算程序。

教育背景：

2003.07 – 2009.06 博士 大连理工大学

1999.09 – 2003.06 学士 内蒙古大学  

工作经历：    

2014.07 – 今     天津职业技术师范大学   讲师  副教授

2022.07 – 2022.09  西湖大学   访问学者

2018.01 – 今     加州理工学院   Research Scientist

2012.05 – 2014.04 加州理工学院   博士后

2010.01 – 2012.05 南洋理工大学   Research Fellow

2008.01 – 2009.12  南洋理工大学  项目助理

教学工作：

本科生课程： 热力学与统计物理、大学物理、经典物理、大学物理实验   

软件著作权：

国家计算机软件著作权：碳化硅外延层厚度及相位解析程序 V1.0，登记号 2026SR0722332。

论文成果：

[1] “Phase-resolved determination of SiC epitaxial layer thickness from FTIR reflectance interference spectra” Ziqi Li, Jingwen Li, Hongxin Yang, Junjie Zhao, K. Niu†, Microelectronics Reliability, accepted (2026).

[2] “Sum rule comparison of broadband and narrow band sum frequency generation” K. Niu†, Hongfei Wang, and R. A. Marcus†, Proc. Natl. Acad. Sci. USA 121, e2402550121 (2024).

[3] “Small Amount Makes a Big Difference: Critical (n-1)d Valence Orbitals of Heavy Alkaline Earth Metals inside Cage Clusters” Le Yang, Xiaojiao Gu, Bo Li, K. Niu, and Peng Jin, Inorg. Chem. 60, 8621 (2021).

[4] “Sum frequency generation: calculation of absolute intensities, comparison with experiments, and two-field relaxation-based derivation” K. Niu and R. A. Marcus, Proc. Natl. Acad. Sci. USA 117, 2805 (2020).

[5] “What are the line shapes of twenty four terms in coherent anti-Stokes Raman spectroscopy?” K. Niu and Soo-Ying Lee, AIP Advances 5, 127213 (2015).

[6] “Analysis of time resolved fs and fs/ps coherent anti-Stokes Raman spectroscopy: Application to toluene and Rhodamine 6G” K. Niu and Soo-Y. Lee, J. Chem. Phys. 136, 064504 (2012).

[7] “Simple Aspects of Femtosecond Stimulated Raman Spectroscopy” Bin Zhao, K. Niu, Xiuting Li, and Soo-Y. Lee, Science China Chemistry (2011), invited paper.

[8] “Inverse Raman bands in ultrafast Raman loss spectroscopy” Xueqiong Qiu, Xiuting Li, K. Niu, and Soo-Y. Lee, J. Chem. Phys. 135, 164502 (2011).

[9] “Wave packet analysis of femtosecond stimulated Raman spectroscopy” K. Niu, Bin Zhao, Zhigang Sun, and Soo-Y. Lee, Advances in Multiphoton Processes and Spectroscopy, Vol. 20, pp. 1–51, World Scientific, Singapore (2011), invited chapter.

[10] “Femtosecond stimulated Raman spectroscopy modeled with a delta probe pulse: application to rhodamine 6G” Xueqiong Qiu, Xiuting Li, K. Niu, and Soo-Y. Lee, J. Raman Spectrosc. 42, 563 (2010).

[11] “Selective excitation of high vibrational states of hydrogen fluoride in a thermal environment by ultrafast infrared laser pulses” K. Niu, L.-Q. Dong, and S.-L. Cong, J. Theor. Comput. Chem. 9, 401 (2010).

[12] “Analysis of femtosecond stimulated Raman spectroscopy of excited-state evolution in bacteriorhodopsin” K. Niu, Bin Zhao, Zhigang Sun, and Soo-Y. Lee, J. Chem. Phys. 132, 084510 (2010).

[13] “Femtosecond stimulated Raman scattering for polyatomics with harmonic potentials: Application to rhodamine 6G” K. Niu, S.-L. Cong, and Soo-Y. Lee, J. Chem. Phys. 131, 054311 (2009).

[14] “Internal conversion process of chlorophyll a in solvents in femtosecond pump-probe laser fields” K. Niu, L.-Q. Dong, and S.-L. Cong, Chin. J. Chem. Phys. 21, 211 (2008).

[15] “Theoretical description of femtosecond fluorescence depletion spectrum of molecules in solution” K. Niu, L.-Q. Dong, and S.-L. Cong, J. Chem. Phys. 127, 124502 (2007).

[16] “Theoretical investigation of ultrafast dynamics of the rhodamine-700 molecule in solvents” L.-Q. Dong, K. Niu, and S.-L. Cong, J. Theor. Comput. Chem. 6, 885 (2007).

[17] “Theoretical analysis of internal conversion pathways and vibrational relaxation process of chlorophyll a in ethyl ether solvent” L.-Q. Dong, K. Niu, and S.-L. Cong, Chem. Phys. Lett. 440, 150 (2007).

[18] “Theoretical analysis of femtosecond fluorescence depletion spectra and vibrational relaxations of dye oxazine 750 and rhodamine 700 molecules in acetone solution” L.-Q. Dong, K. Niu, and S.-L. Cong, Int. J. Quantum Chem. 107, 1205 (2007).

[19] “Theoretical study of vibrational relaxation and internal conversion dynamics of Chlorophyll a in ethyl acetate solvent in femtosecond laser fields” L.-Q. Dong, K. Niu, and S.-L. Cong, Chem. Phys. Lett. 432, 286 (2006).

学术会议：

中国化学会第35届学术年会，“应用经典分子动力学模拟液态苯分子红外及拉曼光谱”，牛凯、李子琪、李静雯，重庆，2026年4月。

中国化学会第34届学术年会，“水表面自由 OH 键和频谱相位谱求和法则计算”，牛凯，广东广州，2024年6月。

第十七届全国化学动力学会议，“Computation of the sum frequency generation for water/air interface, and the femtosecond stimulated Raman scattering for rhodamine 6G and bacteriorhodopsin”，牛凯，安徽黄山，2022年8月。

第63届林道诺贝尔奖获得者大会（63rd Lindau Nobel Laureate Meeting），德国林道，2013年6月。