Selected publishcations：

1.      Xiaoying Dai, Zhuang Liu, Xin Zhang, and Aihui Zhou, A parallel orbital-updating based optimization method for electronic structure calculations, Journal of Computational Physics, 445, p. 110622, 2021.

2.      Xiaoying Dai, Qiao Wang, and Aihui Zhou, Gradient flow based Kohn-Sham density functional theory model, Multiscale Modeling and Simulation, 18(4): 1621-1663, 2020.

3.      戴小英，电子结构计算的数值方法与理论, 计算数学, 第42卷， 青年评述， 131-158，2020年.

4.      Yan Pan, Xiaoying Dai, Stefano de Gironcoli, Xin-Gao Gong, Gian-Marco Rignanese, and Aihui Zhou, A parallel Orbital-Updating Based Plane-Wave Basis Method for Electronic Structure Calculations, Journal of Computational Physics, 348: 482-492, 2017.

5.      Xiaoying Dai, Zhuang Liu, Liwei Zhang, and Aihui Zhou, A Conjugate Gradient Method for Electronic Structure Calculations, SIAM Journal on Scientific Computing, 39: PA2702-A2740, 2017.

6.      戴小英，周爱辉，第一原理实空间并行自适应计算程序设计原理，中国科学：信息科学， 第46 卷，1421-1441，2016.

7.   Xiaoying Dai, Lianhua He, and Aihui Zhou, Convergence and Quasi-Optimal Complexity of Adaptive Finite element Computations for Multiple Eigenvalues, IMA Journal on Numerical Analysis, Vol.35, 1934-1977, 2015.

8.   戴小英，周爱辉，电子结构计算的有限元方法，中国科学：化学，第45 卷, 800-811, 2015.

9.  Huajie Chen, Xiaoying Dai, Xingao Gong, Lianhua He, and Aihui Zhou, Adaptive Finite Element Approximations for  Kohn-Sham Models, Multiscale Modeling and Simuation, Vol.12, 1828-1869, 2014.  

10.  Xiaoying Dai and Yvon Maday, Stable Parareal in Time Method for First and Second Order Hyperbolic System, SIAM Journal on Scientific Computing, Vol.35, A52-A78, 2013.  

11.  Xiaoying Dai, Claude Le Bris, Frederic Legoll, and Yvon Maday, Symmetric Parareal Algorithms for Hamiltonian System, ESIAM: Mathematical Modelling and Numerical Analysis, Vol.47, 717-742, 2013.

12.  Xiaoying Dai, Xingao Gong, Zhang Yang, Dier Zhang, and Aihui Zhou, Finite Volume Discretizations for Eigenvalue Problems with Applications to Electronic Structure Calculations, Multiscale Modeling and Simulation,Vol. 9, 208-240, 2011.  

13. Xiaoying Dai, Jinchao Xu, and Aihui Zhou, Convergence and Optimal Complexity of Adaptive Finite Element Eigenvalue Computations, Numerische Mathematik, Vol. 110, 313-355, 2008.

14. Xiaoying Dai and Aihui Zhou, Three-scale Finite Element Discretizations for Quantum Eigenvalue Problems, SIAM Journal on Numerical Analysis, Vol. 46, 295-324, 2008.