
Papers Published

 Huang, Y; Lu, J; Ming, P, A Concurrent Global–Local Numerical Method for Multiscale PDEs,
Journal of Scientific Computing
(February, 2018),
pp. 128 [doi] [abs]
.
 Lu, J; Zhou, Z, Accelerated sampling by infinite swapping of path integral molecular dynamics with surface hopping.,
Journal of Chemical Physics, vol. 148 no. 6
(February, 2018),
pp. 064110 [doi] [abs]
.
 Dai, S; Li, B; Lu, J, Convergence of PhaseField Free Energy and Boundary Force for Molecular Solvation,
Archive for Rational Mechanics and Analysis, vol. 227 no. 1
(January, 2018),
pp. 105147 [doi] .
 Lu, J; Thicke, K, Cubic scaling algorithms for RPA correlation using interpolative separable density fitting,
Journal of Computational Physics, vol. 351
(December, 2017),
pp. 187202 [doi] .
 Cao, Y; Lu, J, Lindblad equation and its semiclassical limit of the AndersonHolstein model,
Journal of Mathematical Physics, vol. 58 no. 12
(December, 2017) [doi] [abs]
.
 Li, L; Liu, JG; Lu, J, Fractional Stochastic Differential Equations Satisfying FluctuationDissipation Theorem,
Journal of Statistical Physics, vol. 169 no. 2
(October, 2017),
pp. 316339 [doi] [abs]
.
 Yu, VWZ; Corsetti, F; García, A; Huhn, WP; Jacquelin, M; Jia, W; Lange, B; Lin, L; Lu, J; Mi, W; Seifitokaldani, A; VázquezMayagoitia, Á; Yang, C; Yang, H; Blum, V, ELSI: A unified software interface for Kohn–Sham electronic structure solvers,
Computer Physics Communications
(September, 2017) [doi] .
 Li, Q; Lu, J; Sun, W, A convergent method for linear halfspace kinetic equations,
ESAIM. Mathematical modelling and numerical analysis = ESAIM. Modelisation mathematique et analyse numerique : M=2AN, vol. 51 no. 5
(September, 2017),
pp. 15831615 [doi] .
 Lu, J; Steinerberger, S, A variation on the DonskerVaradhan inequality for the principal eigenvalue.,
Proceedings of the Royal Society of London: Mathematical, Physical and Engineering Sciences, vol. 473 no. 2204
(August, 2017),
pp. 20160877 [doi] [abs]
.
 Lu, J; Yang, H, A cubic scaling algorithm for excited states calculations in particle–particle random phase approximation,
Journal of Computational Physics, vol. 340
(July, 2017),
pp. 297308 [doi] .
 Gao, Y; Liu, JG; Lu, J, Continuum Limit of a Mesoscopic Model with Elasticity of Step Motion on Vicinal Surfaces,
Journal of Nonlinear Science, vol. 27 no. 3
(June, 2017),
pp. 873926 [doi] .
 Li, C; Lu, J; Yang, W, On extending KohnSham density functionals to systems with fractional number of electrons.,
Journal of Chemical Physics, vol. 146 no. 21
(June, 2017),
pp. 214109 [doi] [abs]
.
 Lu, J; Thicke, K, Orbital minimization method with ℓ 1 regularization,
Journal of Computational Physics, vol. 336
(May, 2017),
pp. 87103 [doi] .
 Lu, J; Zhou, Z, Path integral molecular dynamics with surface hopping for thermal equilibrium sampling of nonadiabatic systems.,
Journal of Chemical Physics, vol. 146 no. 15
(April, 2017),
pp. 154110 [doi] [abs]
.
 Watson, AB; Lu, J; Weinstein, MI, Wavepackets in inhomogeneous periodic media: Effective particlefield dynamics and Berry curvature,
Journal of Mathematical Physics, vol. 58 no. 2
(February, 2017),
pp. 021503021503 [doi] .
 Niu, X; Luo, T; Lu, J; Xiang, Y, Dislocation climb models from atomistic scheme to dislocation dynamics,
Journal of the Mechanics and Physics of Solids, vol. 99
(February, 2017),
pp. 242258 [doi] .
 Li, XH; Lu, J, Quasinonlocal Coupling of Nonlocal Diffusions,
SIAM Journal on Numerical Analysis, vol. 55 no. 5
(January, 2017),
pp. 23942415 [doi] .
 Lu, J; Yang, H, Preconditioning Orbital Minimization Method for Planewave Discretization,
Multiscale Modeling & Simulation, vol. 15 no. 1
(January, 2017),
pp. 254273 [doi] .
 Lin, L; Lu, J; VandenEijnden, E, A Mathematical Theory of Optimal Milestoning (with a Detour via Exact Milestoning),
Communications on Pure & Applied Mathematics
(January, 2017) [doi] [abs]
.
 Li, Q; Lu, J; Sun, W, Validity and Regularization of Classical HalfSpace Equations,
Journal of Statistical Physics, vol. 166 no. 2
(January, 2017),
pp. 398433 [doi] .
 Li, Q; Lu, J, An asymptotic preserving method for transport equations with oscillatory scattering coefficients,
Multiscale Modeling & Simulation, vol. 15 no. 4
(January, 2017),
pp. 16941718 [doi] [abs]
.
 Gao, Y; Liu, JG; Lu, J, Weak Solution of a Continuum Model For Vicinal Surface in The AttachmentDetachmentLimited Regime,
SIAM Journal on Mathematical Analysis, vol. 49 no. 3
(January, 2017),
pp. 17051731 [doi] [abs]
.
 Cornelis, B; Yang, H; Goodfriend, A; Ocon, N; Lu, J; Daubechies, I, Removal of Canvas Patterns in Digital Acquisitions of Paintings.,
IEEE Transactions on Image Processing, vol. 26 no. 1
(January, 2017),
pp. 160171 [doi] [abs]
.
 Mendl, CB; Lu, J; Lukkarinen, J, Thermalization of oscillator chains with onsite anharmonicity and comparison with kinetic theory.,
Physical review. E, vol. 94 no. 61
(December, 2016),
pp. 062104 [doi] [abs]
.
 Li, Q; Lu, J; Sun, W, Halfspace kinetic equations with general boundary conditions,
Mathematics of Computation, vol. 86 no. 305
(October, 2016),
pp. 12691301 [doi] .
 Yu, TQ; Lu, J; Abrams, CF; VandenEijnden, E, Multiscale implementation of infiniteswap replica exchange molecular dynamics.,
Proceedings of the National Academy of Sciences of USA, vol. 113 no. 42
(October, 2016),
pp. 1174411749 [doi] [abs]
.
 Lu, J; Zhou, Z, Improved sampling and validation of frozen Gaussian approximation with surface hopping algorithm for nonadiabatic dynamics.,
Journal of Chemical Physics, vol. 145 no. 12
(September, 2016),
pp. 124109 [doi] [abs]
.
 Li, X; Lu, J, Traction boundary conditions for molecular static simulations,
Computer Methods in Applied Mechanics and Engineering, vol. 308
(August, 2016),
pp. 310329 [doi] .
 Lin, L; Lu, J, Decay estimates of discretized Green’s functions for Schrödinger type operators,
Science China Mathematics, vol. 59 no. 8
(August, 2016),
pp. 15611578 [doi] .
 Lai, R; Lu, J, Localized density matrix minimization and linearscaling algorithms,
Journal of Computational Physics, vol. 315
(June, 2016),
pp. 194210 [doi] .
 Lu, J; Ying, L, Sparsifying preconditioner for soliton calculations,
Journal of Computational Physics, vol. 315
(June, 2016),
pp. 458466 [doi] .
 Lu, J; Wirth, B; Yang, H, Combining 2D synchrosqueezed wave packet transform with optimization for crystal image analysis,
Journal of the Mechanics and Physics of Solids, vol. 89
(April, 2016),
pp. 194210 [arXiv:1501.06254], [repository], [doi] [abs]
.
 Chen, J; Lu, J, Analysis of the divideandconquer method for electronic structure calculations,
Mathematics of Computation, vol. 85 no. 302
(January, 2016),
pp. 29192938 [doi] .
 Delgadillo, R; Lu, J; Yang, X, GaugeInvariant Frozen Gaussian Approximation Method for the Schrödinger Equation with Periodic Potentials,
SIAM Journal on Scientific Computing, vol. 38 no. 4
(January, 2016),
pp. A2440A2463 [doi] .
 Lu, J; Moroz, V; Muratov, CB, OrbitalFree Density Functional Theory of OutofPlane Charge Screening in Graphene,
Journal of Nonlinear Science, vol. 25 no. 6
(December, 2015),
pp. 13911430 [arXiv:1405.4949], [doi] .
 Li, C; Lu, J; Yang, W, Gentlest ascent dynamics for calculating first excited state and exploring energy landscape of KohnSham density functionals.,
Journal of Chemical Physics, vol. 143 no. 22
(December, 2015),
pp. 224110 [doi] [abs]
.
 Yang, H; Lu, J; Brown, WP; Daubechies, I; Ying, L, Quantitative Canvas Weave Analysis Using 2D Synchrosqueezed Transforms: Application of timefrequency analysis to art investigation,
IEEE Signal Processing Magazine, vol. 32 no. 4
(July, 2015),
pp. 5563 [repository], [doi] .
 Li, Q; Lu, J; Sun, W, Diffusion approximations and domain decomposition method of linear transport equations: Asymptotics and numerics,
Journal of Computational Physics, vol. 292
(July, 2015),
pp. 141167 [arXiv:1409.0476], [doi] [abs]
.
 Lu, J; Mendl, CB, Numerical scheme for a spatially inhomogeneous matrixvalued quantum Boltzmann equation,
Journal of Computational Physics, vol. 291
(June, 2015),
pp. 303316 [arXiv:1408.1782], [doi] .
 Lu, J; Liu, JG; Margetis, D, Emergence of step flow from an atomistic scheme of epitaxial growth in 1+1 dimensions.,
Physical Review E  Statistical, Nonlinear, and Soft Matter Physics, vol. 91 no. 3
(March, 2015),
pp. 032403 [arXiv:1409.0046], [doi] [abs]
.
 Lu, J; Nolen, J, Reactive trajectories and the transition path process,
Probability Theory and Related Fields, vol. 161 no. 12
(February, 2015),
pp. 195244([erratum].)
[arXiv:1303.1744], [doi] .
 Liu, J; Lu, J; Zhou, X, Efficient Rare Event Simulation for Failure Problems in Random Media,
SIAM Journal on Scientific Computing, vol. 37 no. 2
(January, 2015),
pp. A609A624 [arXiv:1404.4729], [doi] .
 Yang, H; Lu, J; Ying, L, Crystal Image Analysis Using 2D Synchrosqueezed Transforms,
Multiscale Modeling & Simulation, vol. 13 no. 4
(January, 2015),
pp. 15421572 [arXiv:1402.1262], [repository], [doi] .
 Lu, J; Ying, L, Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost,
Journal of Computational Physics, vol. 302
(2015),
pp. 329335 [arXiv:1410.7757], [doi] [abs]
.
 Lai, R; Lu, J; Osher, S, Density matrix minimization with ${\ell}_1$ regularization,
Communications in Mathematical Sciences, vol. 13 no. 8
(2015),
pp. 20972117 [arXiv:1403.1525], [doi] .
 Lu, J; Marzuola, JL, Strang splitting methods for a quasilinear Schrödinger equation: convergence, instability, and dynamics,
Communications in Mathematical Sciences, vol. 13 no. 5
(2015),
pp. 10511074 [arXiv:1305.7205], [doi] .
 Lu, J; Otto, F, Nonexistence of a Minimizer for ThomasFermiDiracvon Weizsäcker Model,
Communications on Pure & Applied Mathematics, vol. 67 no. 10
(October, 2014),
pp. 16051617 [doi] .
 Yang, Y; Peng, D; Lu, J; Yang, W, Excitation energies from particleparticle random phase approximation: Davidson algorithm and benchmark studies.,
Journal of Chemical Physics, vol. 141 no. 12
(September, 2014),
pp. 124104 [doi] [abs]
.
 Lu, J; VandenEijnden, E, Exact dynamical coarsegraining without timescale separation,
Journal of Chemical Physics, vol. 141 no. 4
(July, 2014),
pp. 044109044109 [arXiv:1404.4225], [doi] .
 E, W; Lu, J, Mathematical theory of solids: From quantum mechanics to continuum models,
Discrete and Continuous Dynamical Systems, vol. 34 no. 12
(June, 2014),
pp. 50855097 [doi] .
 Kohn, RV; Lu, J; Schweizer, B; Weinstein, MI, A Variational Perspective on Cloaking by Anomalous Localized Resonance,
Communications in Mathematical Physics, vol. 328 no. 1
(May, 2014),
pp. 127 [doi] .
 Lin, L; Lu, J; Shao, S, Analysis of Time Reversible BornOppenheimer Molecular Dynamics, edited by G. Ciccotti, M. Ferrario and Ch. Schuette,
Entropy (Basel, Switzerland), vol. 16 no. 1
(January, 2014),
pp. 110137(Special issue on Molecular Dynamics Simulation.)
[doi] .
 Lu, J; Ming, P, Stability Of A ForceBased Hybrid Method With Planar Sharp Interface,
SIAM Journal on Numerical Analysis, vol. 52 no. 4
(January, 2014),
pp. 20052026 [doi] .
 Lu, J; Otto, F, Nonexistence of a minimizer for ThomasFermiDiracvon Weizsäcker model,
Communications on Pure & Applied Mathematics, vol. 67 no. 10
(2014),
pp. 16051617 [doi] .
 Lu, J; VandenEijnden, E, Infinite swapping replica exchange molecular dynamics leads to a simple simulation patch using mixture potentials.,
Journal of Chemical Physics, vol. 138 no. 8
(February, 2013),
pp. 084105 [23464138], [doi] [abs]
.
 Lu, J; Ming, P, Convergence of a ForceBased Hybrid Method in Three Dimensions,
Communications on Pure & Applied Mathematics, vol. 66 no. 1
(January, 2013),
pp. 83108 [doi] .
 E, W; Lu, JF; Yang, X, Asymptotic analysis of quantum dynamics in crystals: The BlochWigner transform, Bloch dynamics and Berry phase,
Acta Mathematicae Applicatae Sinica, English Series, vol. 29 no. 3
(2013),
pp. 465476 [doi] [abs]
.
 E, W; Lu, J; Yao, Y, The landscape of complex networks: Critical nodes and a hierarchical decomposition,
Methods and Applications of Analysis, vol. 20 no. 4
(2013),
pp. 383404(Special issue dedicated to Stan Osher's 70th birthday.)
[doi] .
 E, W; Lu, J, Stability and the continuum limit of the spinpolarized ThomasFermiDiracvon Weizsäcker model,
Journal of Mathematical Physics, vol. 53 no. 11
(November, 2012),
pp. 115615115615 [doi] .
 Lin, L; Lu, J; Ying, L; E, W, Optimized local basis set for Kohn–Sham density functional theory,
Journal of Computational Physics, vol. 231 no. 13
(May, 2012),
pp. 45154529 [doi] .
 Lin, L; Lu, J; Ying, L; E, W, Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation,
Journal of Computational Physics, vol. 231 no. 4
(February, 2012),
pp. 21402154 [doi] .
 E, W; Lu, J, The KohnSham equation for deformed crystals,
Memoirs of the American Mathematical Society, vol. 221 no. 1040
(2012),
pp. 11 [doi] .
 Lu, J; Yang, X, Convergence of frozen Gaussian approximation for highfrequency wave propagation,
Communications on Pure & Applied Mathematics, vol. 65 no. 6
(2012),
pp. 759789 [doi] [abs]
.
 Lu, J; Yang, X, Frozen gaussian approximation for general linear strictly hyperbolic systems: Formulation and eulerian methods,
Multiscale Modeling & Simulation, vol. 10 no. 2
(2012),
pp. 451472 [doi] [abs]
.
 Schütte, C; Noé, F; Lu, J; Sarich, M; VandenEijnden, E, Markov state models based on milestoning,
Journal of Chemical Physics, vol. 134 no. 20
(May, 2011),
pp. 204105204105 [doi] .
 Daubechies, I; Lu, J; Wu, HT, Synchrosqueezed wavelet transforms: An empirical mode decompositionlike tool,
Applied and Computational Harmonic Analysis, vol. 30 no. 2
(March, 2011),
pp. 243261 [doi] [abs]
.
 Lin, L; Yang, C; Meza, JC; Lu, J; Ying, L; E, W, SelInvAn Algorithm for Selected Inversion of a Sparse Symmetric Matrix,
ACM Transactions on Mathematical Software, vol. 37 no. 4
(February, 2011),
pp. 119 [doi] .
 E, W; Lu, J, The Electronic Structure of Smoothly Deformed Crystals: Wannier Functions and the Cauchy–Born Rule,
Archive for Rational Mechanics and Analysis, vol. 199 no. 2
(February, 2011),
pp. 407433 [doi] .
 Lin, L; Yang, C; Lu, J; Ying, L; E, W, A Fast Parallel Algorithm for Selected Inversion of Structured Sparse Matrices with Application to 2D Electronic Structure Calculations,
SIAM Journal on Scientific Computing, vol. 33 no. 3
(January, 2011),
pp. 13291351 [doi] .
 E, W; Lu, J; Yang, X, Effective Maxwell equations from timedependent density functional theory,
Acta Math. Sin., vol. 32
(2011),
pp. 339339 .
 Lin, L; Lu, J; Ying, L, Fast construction of hierarchical matrix representation from matrixvector multiplication,
Journal of Computational Physics, vol. 230 no. 10
(2011),
pp. 40714087 [doi] [abs]
.
 Lu, J; Yang, X, Frozen Gaussian approximation for high frequency wave propagation,
Communications in Mathematical Sciences, vol. 9 no. 3
(2011),
pp. 663683 [doi] [abs]
.
 E, W; Lu, J, Multiscale modeling,
Scholarpedia, vol. 6
(2011),
pp. 11527 [Multiscale_modeling] .
 E, W; Lu, J, Electronic structure of smoothly deformed crystals: Cauchyborn rule for the nonlinear tightbinding model,
Communications on Pure & Applied Mathematics, vol. 63 no. 11
(November, 2010),
pp. 14321468 [doi] .
 E, W; Li, T; Lu, J, Localized bases of eigensubspaces and operator compression,
Proceedings of the National Academy of Sciences of USA, vol. 107 no. 4
(January, 2010),
pp. 12731278 [doi] .
 GarcíaCervera, CJ; Lu, J; Xuan, Y; E, W, Linearscaling subspaceiteration algorithm with optimally localized nonorthogonal wave functions for KohnSham density functional theory,
Physical Review B  Condensed Matter and Materials Physics, vol. 79 no. 11
(March, 2009),
pp. 115110 [doi] .
 Lin, L; Lu, J; Car, R; E, W, Multipole representation of the Fermi operator with application to the electronic structure analysis of metallic systems,
Physical Review B  Condensed Matter and Materials Physics, vol. 79 no. 11
(March, 2009),
pp. 115133 [doi] .
 Lin, L; Lu, J; Ying, L; Car, R; E, W, 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. 755777 .
 Lin, L; Lu, J; Ying, L; E, W, Polebased approximation of the FermiDirac function,
Chin. Ann. Math. Ser. B, vol. 30
(2009),
pp. 729742 .
 GarciaCervera, CJ; Ren, W; Lu, J; E, W, Sequential multiscale modelling using sparse representation,
Commun. Comput. Phys., vol. 4
(2008),
pp. 10251033 .
 E, W; Lu, J, The Elastic Continuum Limit of the Tight Binding Model*,
Chinese Annals of Mathematics  Series B, vol. 28 no. 6
(December, 2007),
pp. 665676 [doi] .
 E, W; GarcíaCervera, CJ; Lu, J, A sublinear scaling algorithm for computing the electronic structure of materials,
Communications in Mathematical Sciences, vol. 5 no. 4
(2007),
pp. 9991026 [doi] .
 E, W; Lu, J, Seamless multiscale modeling via dynamics on fiber bundles,
Communications in Mathematical Sciences, vol. 5 no. 3
(2007),
pp. 649663 [doi] .
 E, W; Lu, J, The continuum limit and QMcontinuum approximation of quantum mechanical models of solids,
Communications in Mathematical Sciences, vol. 5 no. 3
(2007),
pp. 679696 [doi] .
 E, W; Lu, J; Yang, JZ, Uniform accuracy of the quasicontinuum method,
Physical Review B  Condensed Matter and Materials Physics, vol. 74 no. 21
(December, 2006),
pp. 214115 [doi] .