# Research

### Preprints

• with Hongrui Chen and Holden Lee, Improved analysis of score-based generative modeling: User-friendly bounds under minimal smoothness assumptions (2022) [arXiv:2211.01916]
• with Holden Lee and Yixin Tan, Convergence of score-based generative modeling for general data distributions (2022) [arXiv:2209.12381]
• with Joel Bierman and Yingzhou Li, Improving the accuracy of variational quantum eigensolvers with fewer qubits using orbital optimization (2022) [arXiv:2208.14431]
• Yang Jing, Jiaheng Chen, Lei Li, and Jianfeng Lu, A deep learning framework for geodesics under spherical Wasserstein-Fisher-Rao metric and its application for weighted sample generation (2022) [arXiv:2208.12145]
• with Ziang Chen and Anru Zhang, One-dimensional tensor network recovery (2022) [arXiv:2207.10665]
• with Bowen Li, Interpolation between modified logarithmic Sobolev and Poincare inequalities for quantum Markovian dynamics (2022) [arXiv:2207.06422]
• with Bowen Li and Ziang Yu, Vector-wise joint diagonalization of almost commuting matrices (2022) [arXiv:2205.15519]
• with Min Wang, Neural network based variational methods for solving quadratic porous medium equations in high dimensions (2022) [arXiv:2205.02927]
• with Zhenning Cai and Di Fang, Asymptotic analysis of diabatic surface hopping algorithm in the adiabatic and non-adiabatic limits (2022) [arXiv:2205.02312]
• with Mo Zhou, Single time-scale actor-critic method to solve the linear quadratic regulartor with convergence guarantees (2022) [arXiv:2202.00048]
• with Felix Otto and Lihan Wang, Optimal artificial boundary conditions based on second-order correctors for three dimensional random elliptic media (2021) [arXiv:2109.01616]
• with Kevin Stubbs, Finite second moment implies Chern triviality in non-periodic insulators (2021) [arXiv:2107.10699]
• with Guillaume Bal, Simon Becker, Alexis Drouot, Clotilde Fermanian Kammerer, and Alexander Watson, Edge state dynamics along curved interfaces (2021) [arXiv:2106.00729]
• with Yu Cao, Structure-preserving numerical schemes for Lindblad equations (2021) [arXiv:2103.01194]
• with Kevin Stubbs, Algebraic localization implies exponential localization in non-periodic insulators (2021) [arXiv:2101.02626]
• with Terry Loring and Alex Watson, Locality of the windowed local density of states (2021) [arXiv:2101.00272]
• Shahar Kovalsky, Noam Aigerman, Ingrid Daubechies, Michael Kazhdan, Jianfeng Lu, and Stefan Steinerberger, Non-convex planar harmonic maps (2020) [arXiv:2001.01322]
• with Yu Cao and Lihan Wang, On explicit $$L^2$$-convergence rate estimate for underdamped Langevin dyanmics (2019) [arXiv:1908.04746]
• with Yulong Lu and Jim Nolen, Accelerating Langevin sampling with birth-death (2019) [arXiv:1905.09863]
• with Zhenning Cai and Kevin Stubbs, On discrete Wigner transforms (2018) [arXiv:1802.05834]
• with Stefan Steinerberger, Riesz energy on the torus: Regularity of minimizers (2017) [arXiv:1710.08010]
• with Felix Otto, An isoperimetric problem with Coulomb repulsion and attraction to a background nucleus (2015) [arXiv:1508.07172]

### Refereed journal or conference publication

The published version might be slightly different from the arXiv.
• with Ziang Chen and Yingzhou Li, On the global convergence of randomized coordinate gradient descent for non-convex optimization, SIAM J. Opt. [arXiv:2101.01323]
• with Ziang Chen, Yulong Lu, and Shengxuan Zhou, A regularity theory for static Schrödinger equations on $$\mathbb{R}^d$$ in spectral Barron spaces, SIAM J. Math. Anal. [arXiv:2201.10072]
• with Hang Huang and Joseph M. Landsberg, Geometry of backflow transformation ansatz for quantum many-body Fermionic wavefunctions, Commun. Math. Sci. [arXiv:2111.10314]
• with Holden Lee and Yixin Tan, Convergence for score-based generative modeling with polynomial complexity, NeurIPS 2022 [arXiv:2206.06227]
• with Katy Craig, Jian-Guo Liu, Jeremy Marzuola, and Li Wang, A proximal-gradient algorithm for crystal surface evolution, Numer. Math. [arXiv:2006.12528]
• with Michael Holst, Houdong Hu, Jeremy L. Marzuola, Duo Song, and John Weare, Symmetric breaking in density functional theory due to Dirac exchange for a hydrogen molecule, J. Nonlinear Sci. [arXiv:1902.03497]
• Matthias Sachs, Deborshee Sen, Jianfeng Lu, and David Dunson, Posterior computation with the Gibbs zig-zag sampler, Bayesian Anal. [arXiv:2004.04254]
• with Joel Bierman and Yingzhou Li, Quantum orbital minimization method for excited states calculation on quantum computer, J. Chem. Theory Comput. [arXiv:2201.07963]
• with Zhenning Cai and Siyao Yang, Fast algorithms of bath calculations in simulations of quantum system-bath dynamics, Comput. Phys. Commun. [arXiv:2202.06190]
• with Thomas Barthel and Gero Friesecke, On the closedness and geometry of tensor network state sets, Lett. Math. Phys. [arXiv:2108.00031]
• with Zhenning Cai and Siyao Yang, Numerical analysis for inchworm Monte Carlo method: Sign problem and error growth, Math. Comp. [arXiv:2006.07654]
• Gabriel Pescia, Jiequn Han, Alessandro Lovato, Jianfeng Lu, and Giuseppe Carleo, Neural-network quantum states for periodic systems in continuous space, Phys. Rev. Research [arXiv:2112.11957]
• Jianfeng Lu and Lihan Wang, Complexity of zigzag sampling algorithm for strongly log-concave distributions, Statis. Comput. [arXiv:2012.11094]
• Ke Chen, Shi Chen, Qin Li, Jianfeng Lu, and Stephen J. Wright, Low-rank approximation for multiscale PDEs, Notices Amer. Math. Soc. [arXiv:2111.12904]
• Shi Chen, Qin Li, Jianfeng Lu, and Stephen J. Wright, Manifold learning and nonlinear homogenization, Multiscale Model. Simul. [arXiv:2011.00568]
• Yiping Lu, Haoxuan Chen, Jianfeng Lu, Lexing Ying, and Jose Blanchet, Machine learning for Elliptic PDEs: Fast rate generalization bound, neural scaling law and minimax optimality, ICLR 2022 [arXiv:2110.06897]
• with Yulong Lu, A priori generalization error analysis of two-layer neural networks for solving high dimensional Schrodinger eigenvalue problems, Comm. Amer. Math. Soc. [arXiv:2105.01228]
• with Stefan Steinerberger, Neural collapse with cross-entropy loss, Appl. Comput. Harmonic Anal. [arXiv:2012.08465]
• with Jiequn Han, Yingzhou Li, Lin Lin, Jiefu Zhang, and Linfeng Zhang, Universal approximation of symmetric and anti-symmetric functions, Commun. Math. Sci. [arXiv:1912.01765]
• with Kevin Stubbs and Alex Watson, Existence and computation of generalized Wannier functions for non-periodic systems in two dimensions and higher, Arch. Ration. Mech. Anal. [arXiv:2003.06676]
• with Cody Murphey and Stefan Steinerberger, Fast localization of eigenfunctions via smoothed potentials, J. Sci. Comput. [arXiv:2010.15062]
• with Ziang Chen and Yulong Lu, On the representation of solutions to elliptic PDEs in Barron spaces, NeurIPS 2021 (spotlight) [arXiv:2106.07539]
• Mo Zhou, Jiequn Han, and Jianfeng Lu, Actor-critic method for high dimensional static Hamilton-Jacobi-Bellman partial differential equations based on neural networks, SIAM J. Sci. Comput. [arXiv:2102.11379]
• with Jeremy Marzuola and Alex Watson, Defect resonances of truncated crystal structures, SIAM J. Appl. Math. [arXiv:2006.07762]
• with Cheng Cheng, Ingrid Daubechies, and Nadav Dym, Stable phase recovery from locally stable and conditionally connected measurements, Appl. Comput. Harmonic Anal. [arXiv:2006.11709]
• Ling Li, Carl Goodrch, Haizhao Yang, Katherine R. Phillips, Zian Jia, Hongshun Chen, Lifeng Wang, Jinjin Zhong, Anhua Liu, Jianfeng Lu, Jianwei Shuai, Michael P. Brenner, Frans Spaepen, and Joanna Aizenberg, Microscopic origins of the crystallographically preferred growth in evaporation-induced colloidal crystals, Proc. Natl. Acad. Sci. USA [doi]
• with Zuowei Shen, Haizhao Yang and Shijun Zhang, Deep network approximation for smooth functions, SIAM J. Math. Anal. [arXiv:2001.03040]
• with Lihan Wang, On explicit $$L^2$$-convergence rate estimate for piecewise deterministic Markov processes, Ann. Appl. Probab. [arXiv:2007.14927]
• Siyao Yang, Zhenning Cai, and Jianfeng Lu, Inclusion-exclusion principle for open quantum systems with bosonic bath, New J. Phys. [arXiv:2103.01423]
• with Yulong Lu and Min Wang, A priori generalization analysis of the deep Ritz method for solving high dimensional elliptic equations, COLT 2021 [arXiv:2101.01708]
• with Zhiyan Ding, Qin Li, and Stephen J. Wright, Random coordinate Langevin Monte Carlo, COLT 2021 [arXiv:2010.01405]
• with Yuan Gao, Anya E. Katsevich, Jian-Guo Liu, and Jeremy L. Marzuola, Analysis of a fourth order exponential PDE arising from a crystal surface jump process with Metropolis-type transition rates, Pure Appl. Anal. [arXiv:2003.07236]
• with Dong An, Sara Y. Cheng, Teresa Head-Gordon, and Lin Lin, Convergence of stochastic-extended Lagrangian molecular dynamics method for polarizable force field simulation, J. Comput. Phys. [arXiv:1904.12082]
• with Andrea Agazzi, Temporal-difference learning for nonlinear value function approximation: lazy training and mean field regimes , MSML 2021 [arXiv:1905.10917]
• Alec Coffman, Jianfeng Lu, and Joseph Subotnik, A grid-free approach for simulating sweep and cyclic voltammetry, J. Chem. Phys. [arXiv:2102.05030]
• Yu Cao, Jianfeng Lu, and Lihan Wang, Complexity of randomized algorithms for underdamped Langevin dynamics, Commun. Math. Sci. [arXiv:2003.09906]
• Jianfeng Lu, Zihang Zhang, and Zhennan Zhou, Bloch dynamics with second order Berry phase correction, Asymptotic Anal. [arXiv:1512.07357]
• Ke Chen, Qin Li, Jianfeng Lu and Stephen J. Wright, A low-rank Schwarz method for radiative transport equation with heterogeneous scattering coefficient, Multiscale Model. Simul. [arXiv:1906.02176]
• Lei Li, Jianfeng Lu, Jonathan Mattingly, and Lihan Wang, Numerical methods for stochastic differential equations based on Gaussian mixture, Commun. Math. Sci. [arXiv:1812.11932]
• Zhiyan Ding, Qin Li, Jianfeng Lu, and Stephen J. Wright, Random coordinate underdamped Langevin Monte Carlo, AISTATS 2021 [arXiv:2010.11366]
• Kevin Stubbs, Alex Watson, and Jianfeng Lu, The iterated projected position algorithm for constructing exponentially localized generalized Wannier functions for periodic and non-periodic insulators in two dimenions and higher, Phys. Rev. B [arXiv:2010.01434]
• Andrea Agazzi and Jianfeng Lu, Global optimality of softmax policy gradient with single hidden layer neural networks in the mean-field regime, ICLR 2021 [arXiv:2010.11858]
• Yuehaw Khoo, Jianfeng Lu, and Lexing Ying, Efficient construction of tensor ring representations from sampling, Multiscale Model. Simul. [arXiv:1711.00954]
• Jianfeng Lu, Kyle Thicke, and Alex Watson, Computing edge states without hard truncation, SIAM J. Sci. Comput. [arXiv:1810.07082]
• Rong Ge, Holden Lee, Jianfeng Lu, and Andrej Risteski, Efficient sampling from the Bingham distribution, ALT 2021 [arXiv:2010.00137]
• Jianfeng Lu and Felix Otto, Optimal artificial boundary condition for elliptic random media, Found. Comput. Math. [arXiv:1803.09593]
• Yingzhou Li, Xiuyuan Cheng, and Jianfeng Lu, Butterfly-Net: Optimal function representation based on convolutional neural networks, Commun. Comput. Phys. [arXiv:1805.07451]
• Zhiyan Ding, Qin Li, and Jianfeng Lu, Ensemble Kalman inversion for nonlinear problems: weights, consistency and variance bounds, Found. Data Sci. [arXiv:2003.02316]
• Yulong Lu and Jianfeng Lu, A universal approximation theorem of deep neural networks for expressing distributions, NeurIPS 2020 [arXiv:2004.08867]
• Jiequn Han, Jianfeng Lu and Mo Zhou, Solving high-dimensional eigenvalue problems using deep neural networks: A diffusion Monte Carlo like approach, J. Comput. Phys. [arXiv:2002.02600]
• Jianfeng Lu, Yulong Lu and Zhennan Zhou, Continuum limit and preconditioned Langevin sampling of the path integral molecular dynamics, J. Comput. Phys. [arXiv:1811.10995]
• Yingzhou Li and Jianfeng Lu, Optimal orbital selection for full configuration interaction (OptOrbFCI): Pursuing basis set limit under budget, J. Chem. Theory Comput. [arXiv:2004.04205]
• Ke Chen, Qin Li, Jianfeng Lu and Stephen J. Wright, Random sampling and efficient algorithms for multiscale PDEs, SIAM J. Sci. Comput. [arXiv:1807.08848]
• Ziang Chen, Yingzhou Li and Jianfeng Lu, Tensor ring decomposition: Energy landscape and one-loop convergence of alternating least squares, SIAM J. Matrix Anal. Appl. [arXiv:1905.07101]
• Jianfeng Lu and Stefan Steinerberger, Synchronization of Kuramoto oscillators in dense networks, Nonlinearity [arXiv:1911.12336]
• Victor Wen-zhe Yu, Carmen Campos, William Dawson, Alberto García, Ville Havu, Ben Hourahine, William P Huhn, Mathias Jacquelin, Weile Jia, Murat Keçeli, Raul Laasner, Yingzhou Li, Lin Lin, Jianfeng Lu, Jonathan Moussa, Jose E Roman, Álvaro Vázquez-Mayagoitia, Chao Yang, Volker Blum, ELSI -- An Open Infrastructure for Electronic Structure Solvers, Comput. Phys. Commun. [arXiv:1912.13403]
• Yiping Lu, Chao Ma, Yulong Lu, Jianfeng Lu, and Lexing Ying, A mean-field analysis of deep ResNet and beyond: Towards provable optimization via overparameterization from depth, ICML 2020 [arXiv:2003.05508]
• Yuehaw Khoo, Jianfeng Lu and Lexing Ying, Solving parametric PDE problems with artificial neural networks, Eur. J. Appl. Math. [arXiv:1707.03351]
• Jianfeng Lu and Stefan Steinerberger, Optimal trapping for Brownian motion: a nonlinear analogue of the torsion function, Potential Anal. [arXiv:1908.06273]
• Wuchen Li, Jianfeng Lu, and Li Wang, Fisher information regularization schemes for Wasserstein gradient flows, J. Comput. Phys. [arXiv:1907.02152]
• Yuan Gao, Jian-Guo Liu, Jianfeng Lu, and Jeremy L. Marzuola, Analysis of a continuum theory for broken bond crystal surface models with evaporation and deposition effects, Nonlinearity [arXiv:1905.00179]
• Rong Ge, Holden Lee, and Jianfeng Lu, Estimating normalizing constants for log-concave distributions: Algorithms and lower bounds, STOC 2020 [arXiv:1911.03043]
• Yingzhou Li, Jianfeng Lu, and Anqi Mao, Variational training of neural network approximations of solution maps for physical models, J. Comput. Phys. [arXiv:1905.02789]
• Jianfeng Lu, Alex Watson, and Michael I. Weinstein, Dirac operators and domain walls, SIAM J. Math. Anal. [arXiv:1808.01378]
• Lei Li, Yingzhou Li, Jian-Guo Liu, Zibu Liu, and Jianfeng Lu, A stochastic version of Stein variational gradient descent for efficient sampling, Comm. App. Math. Comp. Sci. [arXiv:1902.03394]
• Deborshee Sen, Matthias Sachs, Jianfeng Lu and David Dunson, Efficient posterior sampling for high-dimensional imbalanced logistic regression, Biometrika [arXiv:1905.11232]
• Yu Cao and Jianfeng Lu, Tensorization of the strong data processing inequality for quantum chi-square divergences, Quantum [arXiv:1904.06562]
• Zhenning Cai, Jianfeng Lu, and Siyao Yang, Inchworm Monte Carlo method for open quantum systems, Comm. Pure Appl. Math. [arXiv:1811.08044]
• Jing An, Jianfeng Lu, and Lexing Ying, Stochastic modified equations for the asynchronous stochastic gradient descent, Inf. Inference [arXiv:1805.08244]
• Jianfeng Lu and Stefan Steinerberger, A dimension-free Hermite-Hadamard inequality via gradient estimates for the torsion function, Proc. Amer. Math. Soc. [arXiv:1905.03216]
• Ke Chen, Qin Li, Jianfeng Lu, and Stephen J. Wright, Randomized sampling for basis functions construction in generalized finite element methods, Multiscale Model. Simul. [arXiv:1801.06938]
• Akihiko Nishimura, David Dunson, and Jianfeng Lu, Discontinuous Hamiltonian Monte Carlo for sampling discrete parameters, Biometrika [arXiv:1705.08510]
• Hongxu Chen, Qin Li, and Jianfeng Lu, Numerical coupling methods of BGK model and Euler equation through linerized Knudsen layer, J. Comput. Phys. [arXiv:1811.03041]
• Yingzhou Li, Jianfeng Lu, and Zhe Wang, Cooridnate-wise descent methods for leading eigenvalue problem, SIAM J. Sci. Comput. [arXiv:1806.05647]
• Wei Zhu, Qiang Qiu, Bao Wang, Jianfeng Lu, Guillermo Sapiro, and Ingrid Daubechies, Stop memorizing: A data-dependent regularization framework for intrinsic pattern learning, SIAM J. Math. Data Sci. [arXiv:1805.07291]
• Yu Cao, Jianfeng Lu, and Yulong Lu, Exponential decay of Rényi divergence under Fokker-Planck equations, J. Stat. Phys. [arXiv:1805.06544]
• Jianfeng Lu, Christopher D. Sogge, and Stefan Steinerberger, Approximating pointwise products of Laplacian eigenfunctions, J. Funct. Anal. [arXiv:1811.10447]
• Zhe Wang, Yingzhou Li, and Jianfeng Lu, Coordinate descent full configuration interaction, J. Chem. Theory Comput. [arXiv:1902.04592]
• Yu Cao, Jianfeng Lu, and Yulong Lu, Gradient flow structure and exponential decay of the sandwiched Rényi divergence for primitive Lindblad equations with GNS-detailed balance, J. Math. Phys. [arXiv:1810.00906]
• Jianfeng Lu, Matthias Sachs and Stefan Steinerberger, Quadrature Points via Heat Kernel Repulsion, Constr. Approx. [arXiv:1804.02327]
• Jian-Guo Liu, Jianfeng Lu, Dio Margetis, and Jeremy Marzuola, Asymmetry in crystal facet dynamics of homoepitaxy in a continuum model, Phys. D [arXiv:1704.01554]
• Yingzhou Li and Jianfeng Lu, Bold diagrammatic Monte Carlo in the lens of stochastic iterative methods, Trans. Math. Appl. [arXiv:1710.00966]
• Jianfeng Lu, Yulong Lu, and Jim Nolen, Scaling limit of the Stein variational gradient descent: the mean field regime, SIAM J. Math. Anal. [arXiv:1805.04035]
• Jianfeng Lu and Eric Vanden-Eijnden, Methodological and computational aspects of parallel tempering methods in the infinite swapping limit, J. Stat. Phys. [arXiv:1712.06947]
• Anton Martinsson, Jianfeng Lu, Benedict Leimkuhler and Eric Vanden-Eijnden, Simulated tempering method in the infinite switch limit with adaptive weight learning, J. Stat. Mech. [arXiv:1809.05066]
• Jianfeng Lu and Zhe Wang, The full configuration interaction quantum Monte Carlo method through the lens of inexact power iteration, SIAM J. Sci. Comput. [arXiv:1711.09153]
• Yuehaw Khoo, Jianfeng Lu, and Lexing Ying, Solving for high dimensional committor functions using artificial neural networks, Res. Math. Sci. [arXiv:1802.10275]
• Jianfeng Lu and Konstantinos Spiliopoulos, Analysis of multiscale integrators for multiple attractors and irreversible Langevin samplers, Multiscale Model. Simul. [arXiv:1606.09539]
• Hui Huang, Jian-Guo Liu, and Jianfeng Lu, Learning interacting particle system: diffusion parameter estimation for aggregation equations, Math. Models Methods Appl. Sci. [arXiv:1802.02267]
• Zhiyi You, Liying Li, Jianfeng Lu, and Hao Ge, Integrated tempering enhanced sampling method as the infinite switching limit of simulated tempering, J. Chem. Phys. [arXiv:1806.00725]
• Di Fang and Jianfeng Lu, A diabatic surface hopping algorithm based on time dependent perturbation theory and semiclassical analysis, Multiscale Model. Simul. [arXiv:1707.00765]
• Thomas Barthel and Jianfeng Lu, Fundamental limitations for measurements in quantum many-body systems, Phys. Rev. Lett. [arXiv:1802.04378]
• Jianfeng Lu and Stefan Steinerberger, Detecting localized eigenstates of linear operators, Res. Math. Sci. [arXiv:1709.03364]
• Yu Cao and Jianfeng Lu, Stochastic dynamical low-rank approximation method, J. Comput. Phys. [arXiv:1803.00499]
• Zhenning Cai and Jianfeng Lu, A surface hopping Gaussian beam method for high-dimensional transport systems, SIAM J. Sci. Comput. [arXiv:1703.06116]
• Jianfeng Lu and Haizhao Yang, Phase space sketching for crystal image analysis based on synchrosqueezed transforms, SIAM J. Imaging Sci. [arXiv:1703.10877]
• Huajie Chen, Jianfeng Lu, and Christoph Ortner, Thermodynamic limit of crystal defects with finite temperature tight binding, Arch. Ration. Mech. Anal. [arXiv:1607.06850]
• Ricardo Delgadillo, Jianfeng Lu, and Xu Yang, Frozen Gaussian approximation for high frequency wave propagation in periodic media, Asymptotic Anal. [arXiv:1504.08051]
• Zhenning Cai and Jianfeng Lu, A quantum kinetic Monte Carlo method for quantum many-body spin dynamics, SIAM J. Sci. Comput. [arXiv:1709.00386]
• Jianfeng Lu and Zhennan Zhou, Accelerated sampling by infinite swapping of path integral molecular dynamics with surface hopping, J. Chem. Phys. [arXiv:1709.06424]
• Yufang Huang, Jianfeng Lu, and Pingbing Ming, A hybrid global-local numerical method for multiscale PDEs, J. Sci. Comput. [arXiv:1611.09935]
• Qiang Du, Xingjie Helen Li, Jianfeng Lu, and Xiaochuan Tian, A quasinonlocal coupling method for nonlocal and local diffusion models, SIAM J. Numer. Anal. [arXiv:1704.00348]
• Rongjie Lai, Jianfeng Lu, Point cloud discretization of Fokker-Planck operators for committor functions, Multiscle Model. Simul. [arXiv:1703.09359]
• Xiaoou Li, Jingchen Liu, Jianfeng Lu and Xiang Zhou, Moderate deviation for random elliptic PDE with small noise, Ann. Appl. Probab. [arXiv:1703.05285]
• Yu Cao and Jianfeng Lu, Lindblad equation and its semiclassical limit of the Anderson-Holstein model, J. Math. Phys. [arXiv:1704.03838]
• Ludwig Gauckler, Jianfeng Lu, Jeremy Marzuola, Frederic Rousset, and Katharina Schratz, Trigonometric integrators for quasilinear wave equations, Math. Comp. [arXiv:1702.02981]
• Jianfeng Lu and Kyle Thicke, Cubic scaling algorithms for RPA correlation using interpolative separable density fitting, J. Comput. Phys. [arXiv:1704.03609]
• Lei Li, Jian-Guo Liu, and Jianfeng Lu, Fractional stochastic differential equations satisfying fluctuation-dissipation theorem, J. Stat. Phys. [arXiv:1612.04274]
• 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, Comput. Phys. Commun. [arXiv:1705.11191]
• Jianfeng Lu and Stefan Steinerberger, A variation on the Donsker-Varadhan inequality for the principal eigenvalue, Proc. R. Soc. A [arXiv:1611.90294]
• Shibin Dai, Bo Li, and Jianfeng Lu, Convergence of phase-field free energy and boundary force for molecular solvation, Arch. Ration. Mech. Anal. [arXiv:1606.04620]
• Jianfeng Lu and Zhennan Zhou, Frozen Gaussian approximation with surface hopping for mixed quantum-classical dynamics: A mathematical justification of fewest switches surface hopping algorithms, Math. Comp. [arXiv:1602.06459]
• Qin Li and Jianfeng Lu, An asymptotic preserving method for transport equations with oscillatory scattering coefficients, Multiscale Model. Simul. [arXiv:1609.00412]
• 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]
• Xingjie Helen Li and Jianfeng Lu, Quasinonlocal coupling of nonlocal diffusions, SIAM J. Numer. Anal. [arXiv:1607.03940]
• Jianfeng Lu and Zhennan Zhou, Path integral molecular dynamics with surface hopping for thermal equilibrium sampling of nonadiabatic systems, J. Chem. Phys. [arXiv:1701.06494]
• Jianfeng Lu and Haizhao Yang, A cubic scaling algorithm for excited states calculations in particle-particle random phase approximation, J. Comput. Phys. [arXiv:1611.00854]
• Ling Lin, Jianfeng Lu and Eric Vanden-Eijnden, A mathematical theory of optimal milestoning (with a detour via exact milestoning), Comm. Pure Appl. Math. [arXiv:1609.02511]
• Alexander Watson, Jianfeng Lu, and Michael I. Weinstein, Wavepackets in inhomogeneous periodic media: Effective particle-field dynamics and Berry curvature, J. Math. Phys. [arXiv:1611.03408]
• Jianfeng Lu and Kyle Thicke, Orbital minimization method with $\ell^1$ regularization, J. Comput. Phys. [arXiv:1605.01036]
• 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. [arxiv:1609.05853]
• 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. [arXiv:1606.08060]
• Qin Li, Jianfeng Lu, and Weiran Sun, Validity and regularization of classical half-space equations, J. Stat. Phys. [arXiv:1606.01311]
• Qin Li, Jianfeng Lu, and Weiran Sun, A convergent method for linear half-space kinetic equation, Math. Model. Numer. Anal. [arXiv:1408.6630]
• Xiaohua Niu, Tao Luo, Jianfeng Lu, and Yang Xiang, Dislocation climb models from atomistic scheme to dislocation dynamics, J. Mech. Phys. Solids [arXiv:1607.08734]
• Christian Mendl, Jianfeng Lu, and Jani Lukkarinen, Thermalization of oscillator chains with onsite anharmonicity and comparison with kinetic theory, Phys. Rev. E [arXiv:1608.08308]
• Jianfeng Lu and Haizhao Yang, Preconditioning orbital minimization method for planewave discretization, Multiscale Model. Simul. [arXiv:1603.09724]
• 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.
• 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. [arXiv:1606.00515]
• Jianfeng Lu and Zhennan Zhou, Improved sampling and validation of frozen Gaussian approximation with surface hopping algorithm for nonadiabatic dynamics, J. Chem. Phys. [arXiv:1606.05365]
• 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, vol. 113 no. 42 (2016) 11744--11749 [doi]
• Ricardo Delgadillo, Jianfeng Lu and Xu Yang, Gauge-invariant frozen Gaussian approximation method for the Schrodinger equation with periodic potentials, SIAM J. Sci. Comput. [arXiv:1509.05552]
• Lin Lin and Jianfeng Lu, Decay estimates of discretized Green's functions for Schrodinger type operators, Sci. China Math. [arXiv:1511.07957]
• Xiantao Li and Jianfeng Lu, Traction boundary conditions for molecular static simulations, Comput. Methods. Appl. Mech. Engrg. [arXiv:1503.03555] [doi]
• Jianfeng Lu and Lexing Ying, Fast algorithm for periodic density fitting for Bloch waves, Ann. Math. Sci. Appl. [arXiv:1512.00432]
• Jianfeng Lu and Lexing Ying, Sparsifying preconditioner for soliton calculations, J. Comput. Phys., vol. 315 (2016), pp. 458-466 [arXiv:1511.03756] [doi]
• 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]
• Qin Li, Jianfeng Lu and Weiran Sun, Half-space kinetic equations with general boundary conditions, Math. Comp., in press [arXiv:1509.03225]
• Jingrun Chen and Jianfeng Lu, Analysis of the divide-and-conquer method for electronic structure calculations, Math. Comp. [arXiv:1411.0066]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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).
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• Xu Yang, Jianfeng Lu, and Sergey Fomel, Seismic modeling using the frozen Gaussian approximation, SEG Technical Program Expanded Abstracts 2013, pp. 4677--4682.
• 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]
• 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]
• 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]
• Weinan E and Jianfeng Lu, The Kohn-Sham equation for deformed crystals, Mem. Amer. Math. Soc., vol. 221 no. 1040 (2013) [doi]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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]
• 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
• 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
• 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
• 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]
• 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]
• 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]
• 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]
• 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]

Last update: August 2020