-
• Ge Xu, Huajie Chen and Xingyu Gao,
Numerical analysis of finite dimensional approximations in finite temperature DFT,
arXiv:2405.07059 (2024) [link]
• Xiaoxu Li and Huajie Chen,
Approximations of the Green's function in multiple scattering theory for crystalline systems,
arXiv:2310.05713 (2023) [link]
• Dexuan Zhou, Huajie Chen, Cheuk Hin Ho, and Christoph Ortner,
A multilevel method for many-electron Schrodinger equations based on the atomic cluster expansion,
SIAM J. Sci. Comput., 46 (2024), pp. A105-A129 [link]
• Xuanyu Liu, Huajie Chen, and Christoph Ortner,
Stability of the minimum energy path,
Numer. Math., 156 (2024), pp. 39-70 [link]
• Tianyou Li, Fan Chen, Huajie Chen, and Zaiwen Wen,
Provable convergence of variational Monte Carlo methods,
arXiv:2303.10599 (2023) [link]
• Yukuan Hu, Huajie Chen, Xin Liu,
A global optimization approach for multi-marginal optimal transport problems with Coulomb cost,
SIAM J. Sci. Comput., 45 (2023), pp. A1214-A1238 [link]
• Xiaoxu Li, Huajie Chen, Xingyu Gao,
Numerical analysis of the multiple scattering theory for electronic structure calculations,
IMA J. Numer. Anal. (2023), pp. 2228-2264 [link]
• Xue Quan and Huajie Chen,
A finite element configuration interaction method for Wigner localization,
J. Comput. Phys., 489 (2023), p. 112251 [link]
• Xuanyu Liu, Huajie Chen, and Christoph Ortner,
Convergence of the discrete minimum energy path,
arXiv:2204.07467 (2022) [link]
• Ting Wang, Huajie Chen, Aihui Zhou, Yuzhi Zhou, and Daniel Massatt,
Convergence of the planewave approximations for quantum incommensurate systems,
arXiv:2204.00994 (2022) [link]
• Jack Thomas, Huajie Chen, and Christoph Ortner,
Body-ordered approximations of atomic properties,
Arch. Rational Mech. Anal., 246 (2022), pp. 1-60 [link]
• Huajie Chen, Christoph Ortner, and Yangshuai Wang,
QM/MM methods for crystalline defects. Part 3: Machine-learned MM models,
Multiscale Model. Simul., 20 (2022), pp. 1490-1518 [link]
• Beilei Liu, Huajie Chen, Genevieve Dusson, Jun Fang, and Xingyu Gao,
An adaptive planewave method for electronic structure calculations,
Multiscale Model. Simul., 20 (2022), pp. 524-550 [link]
• Ting Wang, Huajie Chen, Aihui Zhou, and Yuzhi Zhou,
Layer-splitting methods for time-dependent Schrodinger equations of incommensurate systems,
Commun. Comput. Phys., 30 (2021), pp. 1474-1498 [link]
• Yangshuai Wang, Huajie Chen, Mingjie Liao, Christoph Ortner, Hao Wang, and Lei Zhang,
A posteriori error estimates for adaptive QM/MM coupling methods,
SIAM J. Sci. Comput., 43 (2021), pp. A2785-A2808 [link]
• Yichen Guo, Lueling Jia, Huajie Chen, Huiyuan Li, and Zhiming Zhang,
A mortar spectral element method for full-potential electronic structure calculations,
Commun. Comput. Phys., 29 (2021), pp. 1541-1569 [link]
• Huajie Chen, Aihui Zhou, and Yuzhi Zhou,
A plane wave study on the localized-extended transitions in the one-dimensional incommensurate systems,
Comput. Mat. Sci., 188 (2021), pp. 110242 1-9 [link]
• Christoph Ortner, Jack Thomas, and Huajie Chen,
Locality of interatomic forces in tight binding models for insulators,
ESAIM: M2AN, 54 (2020), pp. 2295-2318 [link]
• Huajie Chen, Mingjie Liao, Hao Wang, Yangshuai Wang, and Lei Zhang,
Adaptive QM/MM coupling for crystalline defects,
Comput. Methods Appl. Mech. Engrg., 354 (2019), pp. 351-368 [link]
• Xiaoxu Li and Huajie Chen,
A discontinuous Galerkin scheme for full-potential electronic structure calculations,
J. Comput. Phys., 385 (2019), pp. 33-50 [link]
• Yuzhi Zhou, Huajie Chen, and Aihui Zhou,
Plane wave methods for quantum eigenvalue problems of incommensurate systems,
J. Comput. Phys., 384 (2019), pp. 99-113 [link]
• Huajie Chen, Faizan Q. Nazar, and Christoph Ortner,
Geometry equilibration of crystalline defects in quantum and atomistic descriptions,
M3AS, 29 (2019), pp. 419-492 [link]
• Huajie Chen, Jianfeng Lu, and Christoph Ortner,
Thermodynamic limit of crystal defects with finite temperature tight binding,
Arch. Rational Mech. Anal., 230 (2018), pp. 701-733 [link]
• Huajie Chen and Christoph Ortner,
QM/MM methods for crystalline defects. Part 2: Consistent energy and force-mixing,
Multiscale Model. Simul., 15 (2017), pp. 184-214 [link]
• Huajie Chen and Christoph Ortner,
QM/MM methods for crystalline defects. Part 1: Locality of the tight binding model,
Multiscale Model. Simul., 14 (2016), pp. 232-264 [link]
• Huajie Chen and Gero Friesecke,
Pair densities in density functional theory,
Multiscale Model. Simul., 13 (2015), pp. 1259-1289 [link]
• Huajie Chen and Reinhold Schneider,
Error estimates of some numerical atomic orbitals in molecular simulations,
Commun. Comput. Phys., 18 (2015), pp. 125-146 [link]
• Huajie Chen and Reinhold Schneider,
Numerical analysis of augmented plane waves methods for full-potential electronic structure calculations,
ESIAM: M2AN, 49 (2015), pp. 755-785 [link]
• Huajie Chen, Xiaoying Dai, Xingao Gong, Lianhua He, and Aihui Zhou,
Adaptive finite element approximations for Kohn-Sham models,
Multiscale Model. Simul., 12 (2014), pp. 1828-1869 [link]
• Huajie Chen, Gero Friesecke, and Christian B. Mendl,
Numerical methods for a Kohn-Sham density functional model based on optimal transport,
J. Chem. Theory Comput., 10 (2014), pp. 4360-4368 [link]
• Markus Bachmayr, Huajie Chen, and Reinhold Schneider,
Error estimates for Hermite and even-tempered Gaussian approximations in quantum chemistry,
Numer. Math., 128 (2014), pp. 137-165 [link]
• Huajie Chen, Xingao Gong, Lianhua He, Zhang Yang, and Aihui Zhou,
Numerical analysis of finite dimensional approximations of Kohn-Sham equations,
Adv. Comput. Math., 38 (2013), pp. 225-256 [link]
• Huajie Chen and Aihui Zhou,
Finite element approximations in orbital-free density functional theory,
In: Recent Progress in Orbital-Free Density Functional Theory, edited by T. A. Wesolowski and Y. A. Wang,
World Scientific, Singapore (2013), Chapter 8, pp. 251-272 [link]
• Huajie Chen, Xingao Gong, Lianhua He, and Aihui Zhou,
Adaptive finite element approximations for a class of nonlinear eigenvalue problems in quantum physics,
Adv. Appl. Math. Mech., 3 (2011), pp. 493-518 [link]
• Huajie Chen, Lianhua He, and Aihui Zhou,
Finite element approximations of nonlinear eigenvalue problems in quantum physics,
Comput. Methods Appl. Mech. Engrg., 200 (2011), pp. 1846-1865 [link]
• Huajie Chen, Fang Liu, Nils Reich, Christoph Winter, and Aihui Zhou,
Two-scale finite element discretizations for integro-differential equations,
J. Integral Equations Appl., 23 (2011), pp. 1-31 [link]
• Huajie Chen, Xingao Gong, and Aihui Zhou,
Numerical approximations of a nonlinear eigenvalue problem and applications to a density functional model,
Math. Meth. Appl. Sci., 33 (2010), pp. 1723-1742 [link]
• Huajie Chen, Fang Liu, and Aihui Zhou,
A two-scale higher-order finite element discretization for Schrodinger equation,
J. Comput. Math., 27 (2009), pp. 315-337 [link]
• Huajie Chen and Aihui Zhou,
Orbital-free density functional theory for molecular structure calculations,
Numer. Math. Theor. Meth. Appl., 1 (2008), pp. 1-28 [link]