Publications
Journal articles
Lin, Lin, Wu, Xiaojie. Numerical solution of large scale Hartree-Fock-Bogoliubov equations. arXiv:1912.10157 [pdf]
Xiaojie Wu, Michael Lindsey, Tiangang Zhou, Yu Tong, Lin Lin. Enhancing robustness and efficiency of density matrix embedding theory via semidefinite programming and local correlation potential fitting. [pdf]
Wu, Xiaojie, and Li, Xiantao. "Absorbing boundary conditions for the time-dependent Schrodinger-type equations in R^3". Physical Review E 101.1 (2020): 013304. [pdf]
Wu, Xiaojie, Zhi-Hao Cui, Yu Tong, Michael Lindsey, Garnet Kin Chan, and Lin Lin. "Projected Density Matrix Embedding Theory with Applications to the Two-Dimensional Hubbard Model." The Journal of Chemical Physics 151.6 (2019): 064108.[pdf]
Wu, Xiaojie, and Xiantao Li. "Stable absorbing boundary conditions for molecular dynamics in general domains." Computational Mechanics 62, no. 6 (2018): 1259-1272. [pdf]
Wu, Xiaojie, and Li, Xiantao. "Simulations of micron-scale fracture using atomistic-based boundary element method." Modelling and Simulation in Materials Science and Engineering 25.8 (2017): 085008.[pdf]
Wu, Xiaojie, and Li, Xiantao. "On consistent definitions of momentum and energy fluxes for molecular dynamics models with multi-body interatomic potentials." Modelling and Simulation in Materials Science and Engineering 23.1 (2015): 015003. [pdf]
Yang, Jerry Zhijian, Wu, Xiaojie, and Li, Xiantao. "Accurate evaluations of strain and stress in atomistic simulations of crystalline solids." Modelling and Simulation in Materials Science and Engineering 22.4 (2014): 045008. [pdf]
Yang, Jerry Zhijian, Wu, Xiaojie, and Li, Xiantao. "A generalized Irving–Kirkwood formula for the calculation of stress in molecular dynamics models." The Journal of chemical physics 137.13 (2012): 134104. [pdf]