. Research - Jianfeng LU's homepage

# Research

[chronological order] [list by subjects]

### Preprints

1. Victor Wen-zhe Yu, Fabiano Corsetti, Alberto García, William P. Huhn, Mathias Jacquelin, Weile Jia, Björn Lange, Lin Lin, Jianfeng Lu, Wenhui Mi, Ali Seifitokaldani, Álvaro Vázquez-Mayagoitia, Chao Yang, Haizhao Yang, Volker Blum, ELSI: A Unified Software Interface for Kohn-Sham Electronic Structure Solvers (2017) [arXiv:1705.11191]
2. with David Dunson and Akihiko Nishimura, Discontinuous Hamiltonian Monte Carlo for sampling discrete parameters (2017) [arXiv:1705.08510]
3. with Yu Cao, Lindblad equation and its semiclassical limit of the Anderson-Holstein model (2017) [arXiv:1704.03838]
4. with Kyle Thicke, Cubic scaling algorithms for RPA correlation using interpolative separable density fitting (2017) [arXiv:1704.03609]
5. with Rongjie Lai, Point cloud discretization of Fokker-Planck operators for committor functions (2017) [arXiv:1703.09359]
6. with Haizhao Yang, Phase space sketching for crystal image analysis based on synchrosqueezed transforms (2017) [arXiv:1703.10877]
7. with Qiang Du, Xingjie Helen Li, and Xiaochuan Tian, A quasinonlocal coupling method for nonlocal and local diffusion models (2017) [arXiv:1704.00348]
8. with Zhenning Cai, A surface hopping Gaussian beam method for high-dimensional transport systems (2017) [arXiv:1703.06116]
9. with Jian-Guo Liu, Dio Margetis, and Jeremy Marzuola, Asymmetry in crystal facet dynamics of homoepitaxy in a continuum model (2017) [arXiv:1704.01554]
10. with Ludwig Gauckler, Jeremy Marzuola, Frederic Rousset, and Katharina Schratz, Trigonometric integrators for quasilinear wave equations (2017) [arXiv:1702.02981]
11. with Lei Li and Jian-Guo Liu, Fractional stochastic differential equations satisfying fluctuation-dissipation theorem (2016) [arXiv:1612.04274]
12. with Stefan Steinerberger, A variation on the Donsker-Varadhan inequality for the principal eigenvalue (2016) [arXiv:1611.90294]
13. with Xiaoou Li, Jingchen Liu and Xiang Zhou, Moderate deviation for random elliptic PDE with small noise (2016) [arXiv:1703.05285]
14. with Qin Li, An asymptotic preserving method for transport equations with oscillatory scattering coefficients (2016) [arXiv:1609.00412]
15. with Yufang Huang and Pingbing Ming, A hybrid global-local numerical method for multiscale PDEs (2016) [arXiv:1611.09935]
16. with Huajie Chen and Christoph Ortner, Thermodynamic limit of crystal defects with finite temperature tight binding (2016) [arXiv:1607.06850]
17. with Konstantinos Spiliopoulos, Multiscale integrators for stochastic differential equations and irreversible Langevin samplers (2016) [arXiv:1606.09539]
18. with Shibin Dai and Bo Li, Convergence of phase-field free energy and boundary force for molecular solvation (2016) [arXiv:1606.04620]
19. with Zhennan Zhou, Frozen Gaussian approximation with surface hopping for mixed quantum-classical dynamics: A mathematical justification of fewest switches surface hopping algorithms (2016) [arXiv:1602.06459]
20. with Zhennan Zhou, Bloch dynamics with second order Berry phase correction (2015) [arXiv:1512.07357]
21. with Felix Otto, An isoperimetric problem with Coulomb repulsion and attraction to a background nucleus (2015) [arXiv:1508.07172]
22. with Ricardo Delgadillo and Xu Yang, Frozen Gaussian approximation for high frequency wave propagation in periodic media (2015) [arXiv:1504.08051]

### Refereed journal papers

The published version might be slightly different from the arXiv.
1. Chen Li, Jianfeng Lu, and Weitao Yang, On extending Kohn-Sham density functionals to systems with fractional number of electrons, J. Chem. Phys., vol. 146 (2017) pp. 214109 [doi]
2. Xingjie Helen Li and Jianfeng Lu, Quasinonlocal coupling of nonlocal diffusions, SIAM J. Numer. Anal., in press [arXiv:1607.03940]
3. Jianfeng Lu and Zhennan Zhou, Path integral molecular dynamics with surface hopping for thermal equilibrium sampling of nonadiabatic systems, J. Chem. Phys., in press [arXiv:1701.06494]
4. Jianfeng Lu and Haizhao Yang, A cubic scaling algorithm for excited states calculations in particle-particle random phase approximation, J. Comput. Phys., in press [arXiv:1611.00854]
5. Ling Lin, Jianfeng Lu and Eric Vanden-Eijnden, A mathematical theory of optimal milestoning (with a detour via exact milestoning), Comm. Pure Appl. Math., in press [arXiv:1609.02511]
6. Alexander Watson, Jianfeng Lu, and Michael I. Weinstein, Wavepackets in inhomogeneous periodic media: Effective particle-field dynamics and Berry curvature, J. Math. Phys., in press [arXiv:1611.03408]
7. Jianfeng Lu and Kyle Thicke, Orbital minimization method with $\ell^1$ regularization, J. Comput. Phys., in press [arXiv:1605.01036]
8. Yuan Gao, Jian-Guo Liu, and Jianfeng Lu, Weak solution of a continuum model for vicinal surface in the attachment-detachment-limited regime, SIAM J. Math. Anal., in press [arxiv:1609.05853]
9. Yuan Gao, Jian-Guo Liu, and Jianfeng Lu, Continuum limit of a mesoscopic model with elasticity of step motion on vicinal surfaces, J. Nonlinear Sci., in press [arXiv:1606.08060]
10. Qin Li, Jianfeng Lu, and Weiran Sun, Validity and regularization of classical half-space equations, J. Stat. Phys., in press [arXiv:1606.01311]
11. Qin Li, Jianfeng Lu, and Weiran Sun, A convergent method for linear half-space kinetic equation, Math. Model. Numer. Anal., in press [arXiv:1408.6630]
12. Xiaohua Niu, Tao Luo, Jianfeng Lu, and Yang Xiang, Dislocation climb models from atomistic scheme to dislocation dynamics, J. Mech. Phys. Solids, in press [arXiv:1607.08734]
13. Christian Mendl, Jianfeng Lu, and Jani Lukkarinen, Thermalization of oscillator chains with onsite anharmonicity and comparison with kinetic theory, Phys. Rev. E, in press [arXiv:1608.08308]
14. Jianfeng Lu and Haizhao Yang, Preconditioning orbital minimization method for planewave discretization, Multiscale Model. Simul., in press [arXiv:1603.09724]
15. Bruno Cornelis, Haizhao Yang, Alex Goodfriend, Noelle Ocon, Jianfeng Lu, and Ingrid Daubechies, Removal of canvas patterns in digital acquisitions of paintings, IEEE Trans. Image Proc., in press
16. Xiantao Li, Lin Lin, and Jianfeng Lu, PEXSI-Σ: A Green's function embedding method for Kohn-Sham density functional theory, Ann. Math. Sci. Appl., in press [arXiv:1606.00515]
17. Jianfeng Lu and Zhennan Zhou, Improved sampling and validation of frozen Gaussian approximation with surface hopping algorithm for nonadiabatic dynamics, J. Chem. Phys., in press [arXiv:1606.05365]
18. Tang-Qing Yu, Jianfeng Lu, Cameron F. Abrams, Eric Vanden-Eijnden, A multiscale implementation of infinite-swap replica exchange molecular dynamics, Proc. Natl. Acad. Sci. USA, in press
19. Ricardo Delgadillo, Jianfeng Lu and Xu Yang, Gauge-invariant frozen Gaussian approximation method for the Schrodinger equation with periodic potentials, SIAM J. Sci. Comput., in press [arXiv:1509.05552]
20. Lin Lin and Jianfeng Lu, Decay estimates of discretized Green's functions for Schrodinger type operators, Sci. China Math., in press [arXiv:1511.07957]
21. Xiantao Li and Jianfeng Lu, Traction boundary conditions for molecular static simulations, Comput. Methods. Appl. Mech. Engrg., in press [arXiv:1503.03555] [doi]
22. Jianfeng Lu and Lexing Ying, Fast algorithm for periodic density fitting for Bloch waves, Ann. Math. Sci. Appl., in press [arXiv:1512.00432]
23. Jianfeng Lu and Lexing Ying, Sparsifying preconditioner for soliton calculations, J. Comput. Phys., vol. 315 (2016), pp. 458-466 [arXiv:1511.03756] [doi]
24. Jianfeng Lu, Benedikt Wirth and Haizhao Yang, Combining 2D synchrosqueezed wave packet transform with optimization for crystal image analysis, J. Mech. Phys. Solids, vol. 89 (2016), pp. 194-210 [arXiv:1501.06254] [doi]
25. Qin Li, Jianfeng Lu and Weiran Sun, Half-space kinetic equations with general boundary conditions, Math. Comp., in press [arXiv:1509.03225]
26. Jingrun Chen and Jianfeng Lu, Analysis of the divide-and-conquer method for electronic structure calculations, Math. Comp., in press [arXiv:1411.0066]
27. Rongjie Lai and Jianfeng Lu, Localized density matrix minimization and linear scaling algorithms, J. Comput. Phys., vol. 315 (2016), pp. 194-210 [arXiv:1506.01610] [doi]
28. Jianfeng Lu, Vitaly Moroz and Cyrill B. Muratov, Orbital-Free Density Functional Theory of Out-of-Plane Charge Screening in Graphene, J. Nonlin. Sci., vol. 25 no. 6 (2015), pp. 1391-1430 [arXiv:1405.4949] [doi]
29. Chen Li, Jianfeng Lu and Weitao Yang, Gentlest ascent dynamics for calculating first excited state and exploring energy landscape of Kohn-Sham density functionals., J. Chem. Phys., vol. 143 no. 22 (2015), pp. 224110 [doi]
30. Haizhao Yang, Jianfeng Lu, William P. Brown, Ingrid Daubechies and Lexing Ying, Quantitative Canvas Weave Analysis Using 2D Synchrosqueezed Transforms: Application of time-frequency analysis to art investigation, IEEE Signal Proc. Mag., vol. 32 no. 4 (2015), pp. 55-63 [doi]
31. Qin Li, Jianfeng Lu and Weiran Sun, Diffusion approximations and domain decomposition method of linear transport equations: Asymptotics and numerics, J. Comput. Phys., vol. 292 (2015), pp. 141-167 [arXiv:1409.0476] [doi]
32. Jianfeng Lu and Christian B. Mendl, Numerical scheme for a spatially inhomogeneous matrix-valued quantum Boltzmann equation, J. Comput. Phys., vol. 291 (2015), pp. 303-316 [arXiv:1408.1782] [doi]
33. Jianfeng Lu, Jian-Guo Liu and Dio Margetis, Emergence of step flow from an atomistic scheme of epitaxial growth in 1+1 dimensions, Phys. Rev. E, vol. 91 no. 3 (2015), pp. 032403 [arXiv:1409.0046] [doi]
34. Jianfeng Lu and Jim Nolen, Reactive trajectories and the transition path process, Probab. Theory Related Fields, vol. 161 no. 1-2 (2015), pp. 195-244 [erratum] [arXiv:1303.1744] [doi]
35. Jingchen Liu, Jianfeng Lu and Xiang Zhou, Efficient Rare Event Simulation for Failure Problems in Random Media, SIAM J. Sci. Comput., vol. 37 no. 2 (2015), pp. A609-A624 [arXiv:1404.4225] [doi]
36. Haizhao Yang, Jianfeng Lu and Lexing Ying, Crystal Image Analysis Using 2D Synchrosqueezed Transforms, Multi. Model. Simul., vol. 13 no. 4 (2015), pp. 1542-1572 [arXiv:1402.1262] [doi]
37. Jianfeng Lu and Lexing Ying, Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost, J. Comput. Phys., vol. 302 (2015), pp. 329-335 [arXiv:1410.7757] [doi]
38. Rongjie Lai, Jianfeng Lu and Stanley J. Osher, Density matrix minimization with $\ell_1$ regularization, Commun. Math. Sci., vol. 13 no. 8 (2015), pp. 2097-2117 [arXiv:1403.1525] [doi]
39. Jianfeng Lu and Jeremy L. Marzuola, Strang splitting methods for a quasilinear Schrödinger equation: convergence, instability, and dynamics, Commun. Math. Sci., vol. 13 no. 5 (2015), pp. 1051-1074 [arXiv:1305.7205] [doi]
40. Jianfeng Lu and Felix Otto, Nonexistence of a minimizer for Thomas-Fermi-Dirac-von Weizsäcker model, Comm. Pure Appl. Math., vol. 67 no. 10 (2014), pp. 1605-1617 [doi]
41. Yang Yang, Degao Peng, Jianfeng Lu and Weitao Yang, Excitation energies from particle-particle random phase approximation: Davidson algorithm and benchmark studies, J. Chem. Phys., vol. 141 no. 12 (2014), pp. 124104-124104 [doi]
42. Jianfeng Lu and Eric Vanden-Eijnden, Exact dynamical coarse-graining without time-scale separation, J. Chem. Phys., vol. 141 no. 4 (2014), pp. 044109-044109 [arXiv:1404.4729] [doi]
43. Weinan E and Jianfeng Lu, Mathematical theory of solids: From quantum mechanics to continuum models, Discret. Contin. Dyn. S., vol. 34 no. 12 (2014), pp. 5085-5097 [doi]
44. Robert V. Kohn, Jianfeng Lu, Ben Schweizer and Michael I. Weinstein, A variational perspective on cloaking by anomalous localized resonance, Comm. Math. Phys., vol. 328 no. 1 (2014), pp. 1-27 [doi]
45. Lin Lin, Jianfeng Lu and Sihong Shao, Analysis of Time Reversible Born-Oppenheimer Molecular Dynamics, edited by G. Ciccotti, M. Ferrario and Ch. Schuette, Entropy, vol. 16 no. 1 (2014), pp. 110-137 (Special issue on Molecular Dynamics Simulation) [doi]
46. Jianfeng Lu and Pingbing Ming, Stability of a force-based hybrid method with planar sharp interface, SIAM J. Numer. Anal., vol. 52 no. 4 (2014), pp. 2005-2026 [doi]
47. Jianfeng Lu and Eric Vanden-Eijnden, Infinite swapping replica exchange molecular dynamics leads to a simple simulation patch using mixture potentials., J. Chem. Phys., vol. 138 no. 8 (2013), pp. 084105 [doi]
48. Jianfeng Lu and Pingbing Ming, Convergence of a force-based hybrid method in three dimensions, Comm. Pure Appl. Math., vol. 66 no. 1 (2013), pp. 83-108 [doi]
49. Weinan E, Jianfeng Lu and Xu Yang, Asymptotic analysis of quantum dynamics in crystals: The Bloch-Wigner transform, Bloch dynamics and Berry phase, Acta Math. Appl. Sin., vol. 29 no. 3 (2013), pp. 465-476 [doi]
50. Weinan E, Jianfeng Lu and Yuan Yao, The landscape of complex networks: Critical nodes and a hierarchical decomposition, Methods Appl. Anal., vol. 20 no. 4 (2013), pp. 383-404 [doi]
51. Lin Lin, Jianfeng Lu, Lexing Ying and Weinan E, Optimized local basis set for Kohn–Sham density functional theory, J. Comput. Phys., vol. 231 no. 13 (2012), pp. 4515-4529 [doi]
52. Lin Lin, Jianfeng Lu, Lexing Ying and Weinan E, Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation, J. Comput. Phys., vol. 231 no. 4 (2012), pp. 2140-2154 [doi]
53. Weinan E and Jianfeng Lu, The Kohn-Sham equation for deformed crystals, Mem. Amer. Math. Soc., vol. 221 no. 1040 (2013) [doi]
54. Jianfeng Lu and Xu Yang, Convergence of frozen Gaussian approximation for high-frequency wave propagation, Comm. Pure Appl. Math., vol. 65 no. 6 (2012), pp. 759-789 [doi]
55. Jianfeng Lu and Xu Yang, Frozen Gaussian approximation for general linear strictly hyperbolic systems: Formulation and eulerian methods, Multi. Model. Simul., vol. 10 no. 2 (2012), pp. 451-472 [doi]
56. Weinan E and Jianfeng Lu, Stability and the continuum limit of the spin-polarized Thomas-Fermi-Dirac-von Weizsäcker model, J. Math. Phys., vol. 53 no. 11 (2012), pp. 115615 [doi]
57. Ingrid Daubechies, Jianfeng Lu and Hau-Tieng Wu, Synchrosqueezed wavelet transforms: An empirical mode decomposition-like tool, Appl. Comput. Harmon. Anal., vol. 30 no. 2 (2011), pp. 243-261 [doi]
58. Lin Lin, Chao Yang, Juan Meza, Jianfeng Lu, Lexing Ying and Weinan E, SelInv---An Algorithm for Selected Inversion of a Sparse Symmetric Matrix, ACM Trans. Math. Software, vol. 37 no. 4 (2011), pp. 1-19 [doi]
59. Weinan E and Jianfeng Lu, The Electronic Structure of Smoothly Deformed Crystals: Wannier Functions and the Cauchy–Born Rule, Arch. Ration. Mech. Anal., vol. 199 no. 2 (2011), pp. 407-433 [doi]
60. Lin Lin, Chao Yang, Jianfeng Lu, Lexing Ying and Weinan E, A Fast Parallel Algorithm for Selected Inversion of Structured Sparse Matrices with Application to 2D Electronic Structure Calculations, SIAM J. Sci. Comput., vol. 33 no. 3 (2011), pp. 1329-1351 [doi]
61. Weinan E, Jianfeng Lu and Xu Yang, Effective Maxwell equations from time-dependent density functional theory, Acta Math. Sin., vol. 27 no. 2 (2011), pp. 339-368 [doi]
62. Lin Lin, Jianfeng Lu and Lexing Ying, Fast construction of hierarchical matrix representation from matrix-vector multiplication, J. Comput. Phys., vol. 230 no. 10 (2011), pp. 4071-4087 [doi]
63. Jianfeng Lu and Xu Yang, Frozen Gaussian approximation for high frequency wave propagation, Commun. Math. Sci., vol. 9 no. 3 (2011), pp. 663-683 [doi]
64. Christof Schütte, Frank Noé, Jianfeng Lu, Marco Sarich and Eric Vanden-Eijnden, Markov state models based on milestoning, J. Chem. Phys., vol. 134 no. 20 (2011), pp. 204105 [doi]
65. Weinan E and Jianfeng Lu, Multiscale modeling, Scholarpedia, vol. 6 (2011), pp. 11527 [Multiscale modeling]
66. Weinan E and Jianfeng Lu, Electronic structure of smoothly deformed crystals: Cauchy-born rule for the nonlinear tight-binding model, Comm. Pure Appl. Math., vol. 63 no. 11 (2010), pp. 1432-1468 [doi]
67. Weinan E, Tiejun Li and Jianfeng Lu, Localized bases of eigensubspaces and operator compression, Proc. Natl. Acad. Sci. USA, vol. 107 no. 4 (2010), pp. 1273-1278 [doi]
68. Carlos J. García-Cervera, Jianfeng Lu, Yulin Xuan and Weinan E, Linear-scaling subspace-iteration algorithm with optimally localized nonorthogonal wave functions for Kohn-Sham density functional theory, Phys. Rev. B, vol. 79 no. 11 (2009), pp. 115110 [doi]
69. Lin Lin, Jianfeng Lu, Roberto Car and Weinan E, Multipole representation of the Fermi operator with application to the electronic structure analysis of metallic systems, Phys. Rev. B, vol. 79 no. 11 (2009), pp. 115133 [doi]
70. Lin Lin, Jianfeng Lu, Lexing Ying, Roberto Car and Weinan E, Fast algorithm for extracting the diagonal of the inverse matrix with application to the electronic structure analysis of metallic systems, Commun. Math. Sci., vol. 7 (2009), pp. 755-777
71. Lin Lin, Jianfeng Lu, Lexing Ying and Weinan E, Pole-based approximation of the Fermi-Dirac function, Chin. Ann. Math. Ser. B, vol. 30 (2009), pp. 729-742
72. Carlos J. García-Cervera, Weiqing Ren, Jianfeng Lu and Weinan E, Sequential multiscale modelling using sparse representation, Commun. Comput. Phys., vol. 4 (2008), pp. 1025-1033
73. Weinan E and Jianfeng Lu, The Elastic Continuum Limit of the Tight Binding Model, Chin. Ann. Math. Ser. B, vol. 28 no. 6 (2007), pp. 665-676 [doi]
74. Carlos J. García-Cervera, Jianfeng Lu, and Weinan E, A sub-linear scaling algorithm for computing the electronic structure of materials, Commun. Math. Sci., vol. 5 no. 4 (2007), pp. 999-1026 [doi]
75. Weinan E and Jianfeng Lu, Seamless multiscale modeling via dynamics on fiber bundles, Commun. Math. Sci., vol. 5 no. 3 (2007), pp. 649-663 [doi]
76. Weinan E and Jianfeng Lu, The continuum limit and QM-continuum approximation of quantum mechanical models of solids, Commun. Math. Sci., vol. 5 no. 3 (2007), pp. 679-696 [doi]
77. Weinan E, Jianfeng Lu and Jerry Z. Yang, Uniform accuracy of the quasicontinuum method, Phys. Rev. B, vol. 74 no. 21 (2006), pp. 214115 [doi]

### Refereed conference publication

1. Yin Xian, Andrew Thompson, Qiang Qiu, Loren Nolte, Douglas Nowacek, Jianfeng Lu, and Robert Calderbank, Classification of whale vocalizations using the Weyl transform, 2015 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP), 773--777 (2015).
2. Xu Yang, Jianfeng Lu, and Sergey Fomel, Seismic modeling using the frozen Gaussian approximation, SEG Technical Program Expanded Abstracts 2013, pp. 4677--4682.

Last update: June, 2016