Lin Lin

发表

Systematically Improvable Tensor Hypercontraction: Interpolative Separable Density-Fitting for Molecules Applied to Exact Exchange, Second- and Third-Order Møller-Plesset Perturbation Theory.

Joonho Lee, Lin Lin, M. Head‐Gordon, 2019, Journal of chemical theory and computation.

Randomized estimation of spectral densities of large matrices made accurate

Lin Lin, Lin Lin, 2015, Numerische Mathematik.

Kantorovich dual solution for strictly correlated electrons in atoms and molecules

Lin Lin, C. Mendl, 2012, 1210.7117.

Approximating Spectral Densities of Large Matrices

Yousef Saad, Chao Yang, Lin Lin, 2013, SIAM Rev..

A Structure Preserving Lanczos Algorithm for Computing the Optical Absorption Spectrum

Chao Yang, Steven G. Louie, Jack Deslippe, 2016, SIAM J. Matrix Anal. Appl..

Numerical integration for ab initio many-electron self energy calculations within the GW approximation

Fang Liu, Steven G. Louie, Lin Lin, 2014, J. Comput. Phys..

A posteriori error estimator for adaptive local basis functions to solve Kohn-Sham density functional theory

Chao Yang, Lin Lin, Jason Kaye, 2014, 1401.0920.

Projected Commutator DIIS Method for Accelerating Hybrid Functional Electronic Structure Calculations.

Chao Yang, Wei Hu, Lin Lin, 2017, Journal of chemical theory and computation.

Pushing the Limit of Molecular Dynamics with Ab Initio Accuracy to 100 Million Atoms with Machine Learning

E Weinan, Weile Jia, Lin Lin, 2020, SC20: International Conference for High Performance Computing, Networking, Storage and Analysis.

Chebyshev polynomial filtered subspace iteration in the discontinuous Galerkin method for large-scale electronic structure calculations.

Chao Yang, Wei Hu, Lin Lin, 2016, The Journal of chemical physics.

Parallel eigenvalue calculation based on multiple shift-invert Lanczos and contour integral based spectral projection method

Chao Yang, Esmond G. Ng, Lin Lin, 2014, Parallel Comput..

Interpolative Separable Density Fitting Decomposition for Accelerating Hybrid Density Functional Calculations with Applications to Defects in Silicon.

Chao Yang, Wei Hu, Lin Lin, 2017, Journal of chemical theory and computation.

Accelerating atomic orbital-based electronic structure calculation via pole expansion and selected inversion

Chao Yang, Lin Lin, Lixin He, 2012, Journal of physics. Condensed matter : an Institute of Physics journal.

Projection-Based Embedding Theory for Solving Kohn-Sham Density Functional Theory

Lin Lin, Leonardo Zepeda-N'unez, 2018, Multiscale Model. Simul..

PROJECTION BASED EMBEDDING THEORY FOR SOLVING KOHN-SHAM DENSITY FUNCTIONAL THEORY

Lin Lin, 2019 .

PROJECTION BASED EMBEDDING THEORY FOR SOLVING KOHN-SHAM DENSITY FUNCTIONAL THEORY

Lin Lin, 2018 .

PROJECTION BASED EMBEDDING THEORY FOR SOLVING KOHN-SHAM DENSITY FUNCTIONAL THEORY

Lin Lin, 2018 .

Learning the Mapping $$\mathbf {x}\mapsto \sum\limits _{i=1}^d x_i^2$$ x ↦ ∑ i

Lin Lin, Yuan Yao, Leonardo Zepeda-Núñez, 2020 .

Optimal quantum eigenstate filtering with application to solving quantum linear systems

Lin Lin, Yu Tong, 2019 .

Fast Real-Time Time-Dependent Density Functional Theory Calculations with the Parallel Transport Gauge.

Lin-wang Wang, Lin Lin, Weile Jia, 2018, Journal of chemical theory and computation.

Hybridization fitting via semi-definite relaxation

K. B. Whaley, Lin Lin, N. Tubman, 2019 .

PEXSI-$\Sigma$: A Green's function embedding method for Kohn-Sham density functional theory

Lin Lin, Jianfeng Lu, Xiantao Li, 2016, 1606.00515.

PEXSI-$\Sigma$: A Green's function embedding method for Kohn-Sham density functional theory

Lin Lin, Jianfeng Lu, Luan Jianfeng, 2016, 1606.00515.

Discontinuous Galerkin method with Voronoi partitioning for quantum simulation of chemistry

Lin Lin, F. M. Faulstich, Xiaojie Wu, 2020, Research in the Mathematical Sciences.

Globally Constructed Adaptive Local Basis Set for Spectral Projectors of Second Order Differential Operators

Lin Lin, Yingzhou Li, 2017, Multiscale Model. Simul..

GLOBALLY CONSTRUCTED ADAPTIVE LOCAL BASIS SET FOR SPECTRAL PROJECTORS OF SECOND ORDER DIFFERENTIAL OPERATORS\ast

Lin Lin, 2019 .

Parallel transport dynamics for mixed quantum states with applications to time-dependent density functional theory

Lin Lin, Dong An, Di Fang, 2021, J. Comput. Phys..

Accelerating selected columns of the density matrix computations via approximate column selection

Lin Lin, Lexing Ying, Anil Damle, 2016 .

Robust analytic continuation of Green's functions via projection, pole estimation, and semidefinite relaxation

Lin Lin, Zhen Huang, E. Gull, 2022, Physical Review B.

Accelerating Optical Absorption Spectra and Exciton Energy Computation for Nanosystems via Interpolative Separable Density Fitting

Chao Yang, S. Louie, Lin Lin, 2018, 1801.09015.

Lawrence Berkeley National Laboratory Recent Work Title Accelerating Optical Absorption Spectra and Exciton Energy Computation via Interpolative Separable Density Fitting Permalink

Chao Yang, S. Louie, Lin Lin, 2018 .

Adaptively compressed polarizability operator for accelerating large scale \textit{ab initio} phonon calculations

Lin Lin, Lexing Ying, Ze Xu, 2016 .

Numerical solution of large scale Hartree-Fock-Bogoliubov equations pdf

Lin Lin, Xiaojie Wu, Lin Lin, 2019, ESAIM: Mathematical Modelling and Numerical Analysis.

Highly Efficient Photocatalytic Water Splitting over Edge-Modified Phosphorene Nanoribbons.

Chao Yang, Lin Lin, Wei Hu, 2017, Journal of the American Chemical Society.

Low-rank representation of tensor network operators with long-range pairwise interactions pdf

Lin Lin, Yu Tong, Lin Lin, 2019, SIAM J. Sci. Comput..

A Mathematical Introduction to Electronic Structure Theory

Lin Lin, Jianfeng Lu, Lin Lin, 2019 .

A Multiscale Neural Network Based on Hierarchical Matrices

Lexing Ying, Lin Lin, Yuwei Fan, 2018, Multiscale Model. Simul..

Bold Feynman Diagrams and the Luttinger–Ward Formalism via Gibbs Measures: Perturbative Approach

Lin Lin, M. Lindsey, 2021, Archive for Rational Mechanics and Analysis.

Bold Feynman Diagrams and the Luttinger–Ward Formalism Via Gibbs Measures: Non-perturbative Analysis

Lin Lin, M. Lindsey, 2021, Archive for Rational Mechanics and Analysis.

Variational Embedding for Quantum Many‐Body Problems

Lin Lin, M. Lindsey, 2019, Communications on Pure and Applied Mathematics.

Enhancing robustness and efficiency of density matrix embedding theory via semidefinite programming and local correlation potential fitting

Lin Lin, Tiangang Zhou, M. Lindsey, 2020, 2003.00873.

Efficient hybridization fitting for dynamical mean-field theory via semi-definite relaxation

Lin Lin, N. Tubman, M. Lindsey, 2019, Physical Review B.

Projected density matrix embedding theory with applications to the two-dimensional Hubbard model

Lin Lin, G. Chan, M. Lindsey, 2019, The Journal of Chemical Physics.

Numerical methods for Kohn–Sham density functional theory

Lexing Ying, Lin Lin, Jianfeng Lu, 2019, Acta Numerica.

Sparsity Pattern of the Self-energy for Classical and Quantum Impurity Problems

Lin Lin, M. Lindsey, 2019, 1902.04796.

A Left-Looking Selected Inversion Algorithm and Task Parallelism on Shared Memory Systems

Mathias Jacquelin, Weile Jia, Chao Yang, 2016, HPC Asia.

PSelInv—A Distributed Memory Parallel Algorithm for Selected Inversion

Mathias Jacquelin, Chao Yang, Lin Lin, 2014, ACM Trans. Math. Softw..

Lawrence Berkeley National Laboratory Recent Work Title PSelInv-A distributed memory parallel algorithm for selected inversion : The non-symmetric case

Chao Yang, Lin Lin, Lin Lin, 2017 .

Variational structure of Luttinger–Ward formalism and bold diagrammatic expansion for Euclidean lattice field theory

Lin Lin, M. Lindsey, 2017, Proceedings of the National Academy of Sciences.

Semidefinite Relaxation of Multimarginal Optimal Transport for Strictly Correlated Electrons in Second Quantization

Lexing Ying, Yuehaw Khoo, Lin Lin, 2019, SIAM J. Sci. Comput..

Heisenberg-Limited Ground-State Energy Estimation for Early Fault-Tolerant Quantum Computers

Lin Lin, Yu Tong, 2021, PRX Quantum.

Quantum Linear System Solver Based on Time-optimal Adiabatic Quantum Computing and Quantum Approximate Optimization Algorithm

Lin Lin, Dong An, 2019, ACM Transactions on Quantum Computing.

Near-optimal ground state preparation

Lin Lin, Yu Tong, 2020, Quantum.

Computing Localized Representations of the Kohn-Sham Subspace Via Randomization and Refinement

Lexing Ying, Lin Lin, Anil Damle, 2016, SIAM J. Sci. Comput..

SCDM-k: Localized orbitals for solids via selected columns of the density matrix

Lexing Ying, Lin Lin, Anil Damle, 2015, J. Comput. Phys..

Compressed Representation of Kohn-Sham Orbitals via Selected Columns of the Density Matrix.

Lexing Ying, Lin Lin, Anil Damle, 2014, Journal of chemical theory and computation.

Unified analysis of finite-size error for periodic Hartree-Fock and second order Møller-Plesset perturbation theory

Lin Lin, Xiaoxu Li, Xin Xing, 2021, ArXiv.

Staggered mesh method for correlation energy calculations of solids: Second order Møller-Plesset perturbation theory

Lin Lin, Xiaoxu Li, Xin Xing, 2021, Journal of chemical theory and computation.

Time-dependent unbounded Hamiltonian simulation with vector norm scaling

Lin Lin, Dong An, Di Fang, 2020, Quantum.

Fast inversion, preconditioned quantum linear system solvers, and fast evaluation of matrix functions pdf

Nathan Wiebe, Lin Lin, Yu Tong, 2020, Physical Review A.

Using models to improve optimizers for variational quantum algorithms

Zhang Jiang, Ryan Babbush, Matthew P. Harrigan, 2020, Quantum Science and Technology.

Discontinuous Galerkin discretization for quantum simulation of chemistry

Ryan Babbush, Jarrod R. McClean, Bryan O'Gorman, 2019, New Journal of Physics.

A Theory of Quantum Subspace Diagonalization pdf

Yuji Nakatsukasa, Lin Lin, Ethan N. Epperly, 2021, SIAM Journal on Matrix Analysis and Applications.

Efficient phase-factor evaluation in quantum signal processing

K. B. Whaley, Lin Lin, X. Meng, 2020, Physical Review A.

Edge reconstruction in armchair phosphorene nanoribbons revealed by discontinuous Galerkin density functional theory.

Chao Yang, Wei Hu, Lin Lin, 2015, Physical chemistry chemical physics : PCCP.

Electronic structure and aromaticity of large-scale hexagonal graphene nanoflakes.

Chao Yang, Wei Hu, Lin Lin, 2014, The Journal of chemical physics.

Convergence of Adaptive Compression Methods for Hartree‐Fock‐Like Equations

Lin Lin, Michael Lindsey, Lin Lin, 2017, Communications on Pure and Applied Mathematics.

Localized spectrum slicing

Lin Lin, Lin Lin, 2014, Math. Comput..

Adaptively Compressed Exchange Operator.

Lin Lin, Lin Lin, 2016, Journal of chemical theory and computation.

Systematically Improvable Tensor Hypercontraction: Interpolative Separable Density-Fitting for Molecules Applied to Exact Exchange, Second- and Third-Order Møller-Plesset Perturbation Theory.

Joonho Lee, Lin Lin, M. Head‐Gordon, 2019, Journal of chemical theory and computation.

Efficient Algorithms for Estimating the Absorption Spectrum within Linear Response TDDFT.

Yousef Saad, Chao Yang, Meiyue Shao, 2015, Journal of chemical theory and computation.

Explicitly antisymmetrized neural network layers for variational Monte Carlo simulation pdf

Gil Goldshlager, Lin Lin, Jeffmin Lin, 2021, J. Comput. Phys..

Reinforcement Learning for Many-Body Ground State Preparation based on Counter-Diabatic Driving pdf

Lin Lin, Marin Bukov, Jiahao Yao, 2020, ArXiv.

86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy pdf

E Weinan, Weile Jia, Lin Lin, 2020, Comput. Phys. Commun..

Large-scale ab initio simulations based on systematically improvable atomic basis

Xiaohui Liu, Lin Lin, Pengfei Li, 2015, 1503.00097.

Convergence of stochastic-extended Lagrangian molecular dynamics method for polarizable force field simulation

Lin Lin, Jianfeng Lu, Teresa Head-Gordon, 2019, J. Comput. Phys..

Noise-Robust End-to-End Quantum Control using Deep Autoregressive Policy Networks pdf

Lin Lin, Marin Bukov, Jiahao Yao, 2020, MSML.

Policy Gradient based Quantum Approximate Optimization Algorithm

Lin Lin, Jiahao Yao, Marin Bukov, 2020, MSML.

Interpolative Separable Density Fitting through Centroidal Voronoi Tessellation with Applications to Hybrid Functional Electronic Structure Calculations.

Wei Hu, Lin Lin, Kun Dong, 2017, Journal of chemical theory and computation.

Explicitly antisymmetrized neural network layers for variational Monte Carlo simulation

Lin Lin, Gil Goldshlager, Jeffmin Lin, 2021, J. Comput. Phys..

Two-Level Chebyshev Filter Based Complementary Subspace Method: Pushing the Envelope of Large-Scale Electronic Structure Calculations.

Phanish Suryanarayana, Chao Yang, Lin Lin, 2017, Journal of chemical theory and computation.

DGDFT: A massively parallel method for large scale density functional theory calculations.

Chao Yang, Wei Hu, Lin Lin, 2015, The Journal of chemical physics.

Analysis of Time Reversible Born-Oppenheimer Molecular Dynamics

Sihong Shao, Lin Lin, Jianfeng Lu, 2013, Entropy.

Elliptic Preconditioner for Accelerating the Self-Consistent Field Iteration in Kohn-Sham Density Functional Theory

Chao Yang, Lin Lin, Chao Yang, 2012, SIAM J. Sci. Comput..

Efficient Long-Range Convolutions for Point Clouds pdf

Lin Lin, Lexing Ying, Yifan Peng, 2020, J. Comput. Phys..

Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory

Sihong Shao, E Weinan, Lin Lin, 2012, J. Comput. Phys..

A Theory of Quantum Subspace Diagonalization

Ethan N. Epperly, Y. Nakatsukasa, Lin Lin, 2021, SIAM J. Matrix Anal. Appl..

SIESTA-PEXSI: massively parallel method for efficient and accurate ab initio materials simulation without matrix diagonalization

Chao Yang, Lin Lin, Georg Huhs, 2014, Journal of physics. Condensed matter : an Institute of Physics journal.

Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations

Chao Yang, Wei Hu, Lin Lin, 2012, J. Comput. Phys..

Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation

E Weinan, Lexing Ying, Lin Lin, 2011, J. Comput. Phys..

Accelerating Optical Absorption Spectra and Exciton Energy Computation via Interpolative Separable Density Fitting

Chao Yang, Steven G. Louie, Wei Hu, 2018, ICCS.

Optimized local basis set for Kohn-Sham density functional theory

E Weinan, Lexing Ying, Lin Lin, 2011, J. Comput. Phys..

Fast Algorithms for Estimating the Absorption Spectrum within the Linear Response Time-dependent Density Functional Theory

Y. Saad, Chao Yang, Lin Lin, 2015 .

Quantum Dynamics with the Parallel Transport Gauge

Dong An, Lin Lin, Lin Lin, 2018, Multiscale Model. Simul..

Split representation of adaptively compressed polarizability operator pdf

Lin Lin, Dong An, Ze Xu, 2020, Research in the Mathematical Sciences.

Adaptively Compressed Exchange Operator for Large-Scale Hybrid Density Functional Calculations with Applications to the Adsorption of Water on Silicene.

Chao Yang, Wei Hu, Lin Lin, 2017, Journal of chemical theory and computation.

A GENERAL FRAMEWORK FOR ENHANCING SPARSITY OF GENERALIZED POLYNOMIAL CHAOS EXPANSIONS

Xiu Yang, Huan Lei, Lin Lin, 2019, International Journal for Uncertainty Quantification.

Pole Expansion for Solving a Type of Parametrized Linear Systems in Electronic Structure Calculations

Lexing Ying, Lin Lin, Anil Damle, 2013, SIAM J. Sci. Comput..

Mesh independence of the generalized Davidson algorithm

Carl Tim Kelley, Lin Lin, Jerzy Bernholc, 2020, J. Comput. Phys..

A posteriori error estimates for discontinuous Galerkin methods using non-polynomial basis functions. Part II: Eigenvalue problems

Benjamin Stamm, Lin Lin, Lin Lin, 2016, 1603.04456.

A posteriori error estimates for discontinuous Galerkin methods using non-polynomial basis functions Part I: Second order linear PDE

Benjamin Stamm, Lin Lin, Lin Lin, 2015, 1502.01738.

Element orbitals for Kohn-Sham density functional theory

Lexing Ying, Lin Lin, Lin Lin, 2012, 1201.5698.

Adaptively Compressed Polarizability Operator for Accelerating Large Scale Ab Initio Phonon Calculations

Lexing Ying, Lin Lin, Ze Xu, 2016, Multiscale Model. Simul..

Towards sharp error analysis of extended Lagrangian molecular dynamics pdf

Lin Lin, Dong An, Michael Lindsey, 2020, J. Comput. Phys..

Approximating Spectral Densities of Large Matrices

Y. Saad, Chao Yang, Lin Lin, 2013, SIAM Rev..

Structured Quasi-Newton Methods for Optimization with Orthogonality Constraints

Bo Jiang, Jiang Hu, Lin Lin, 2018, SIAM J. Sci. Comput..

Deep Density: circumventing the Kohn-Sham equations via symmetry preserving neural networks pdf

Weile Jia, Lin Lin, Linfeng Zhang, 2019, J. Comput. Phys..

Siesta: Recent developments and applications.

Victor Wen-zhe Yu, Volker Blum, Roberto Robles, 2020, The Journal of chemical physics.

Random circuit block-encoded matrix and a proposal of quantum LINPACK benchmark

Lin Lin, Yulong Dong, 2020, Physical Review A.

A New Quantum Private Query Protocol with Better Performance in Resisting Joint-Measurement Attack

Lin Lin, Xi Chen, Lifan Yang, 2019, ICAIS.

Approximating Spectral Densities of Large Matrices

Y. Saad, Chao Yang, Lin Lin, 2013, SIAM Rev..

Highly Efficient Photocatalytic Water Splitting over Edge-Modified Phosphorene Nanoribbons.

Chao Yang, Lin Lin, Wei Hu, 2017, Journal of the American Chemical Society.

A General Framework of Enhancing Sparsity of Generalized Polynomial Chaos Expansions

Lin Lin, H. Lei, Xiu Yang, 2017, 1707.02688.

Efficient Algorithms for Estimating the Absorption Spectrum within Linear Response TDDFT.

Y. Saad, E. Ng, Chao Yang, 2015, Journal of chemical theory and computation.

SIESTA-PEXSI: massively parallel method for efficient and accurate ab initio materials simulation without matrix diagonalization

Chao Yang, Lin Lin, Alberto García, 2014, Journal of physics. Condensed matter : an Institute of Physics journal.

Efficient hybridization fitting for dynamical mean-field theory via semi-definite relaxation

Lin Lin, N. Tubman, M. Lindsey, 2019, Physical Review B.

DGDFT: A massively parallel method for large scale density functional theory calculations.

Chao Yang, Lin Lin, Wei Hu, 2015, The Journal of chemical physics.

Using models to improve optimizers for variational quantum algorithms

Lin Lin, J. McClean, R. Babbush, 2020, Quantum Science and Technology.

Pushing the Limit of Molecular Dynamics with Ab Initio Accuracy to 100 Million Atoms with Machine Learning

Lin Lin, E. Weinan, R. Car, 2020, SC20: International Conference for High Performance Computing, Networking, Storage and Analysis.