Lin Lin

Publication Activity (10 Years)

Years Active: 2011-2024
Publications (10 Years): 69

Top Topics

Synchronous Communication

Molecular Dynamics

Pairwise Interactions

Top Venues

J. Comput. Phys.

Multiscale Model. Simul.

Publications

Gil Goldshlager, Nilin Abrahamsen, Lin Lin
A Kaczmarz-inspired approach to accelerate the optimization of neural network wavefunctions. CoRR (2024)
Xin Xing, Lin Lin
Finite-size effects in periodic coupled cluster calculations. J. Comput. Phys. 500 (2024)
Daan Camps, Lin Lin, Roel Van Beeumen, Chao Yang
Explicit Quantum Circuits for Block Encodings of Certain Sparse Matrices. SIAM J. Matrix Anal. Appl. 45 (1) (2024)
Dong An, Jin-Peng Liu, Lin Lin
Linear combination of Hamiltonian simulation for non-unitary dynamics with optimal state preparation cost. CoRR (2023)
Yifan Peng, Lin Lin, Lexing Ying, Leonardo Zepeda-Núñez
Efficient long-range convolutions for point clouds. J. Comput. Phys. 473 (2023)
Dong An, Andrew M. Childs, Lin Lin
Quantum algorithm for linear non-unitary dynamics with near-optimal dependence on all parameters. CoRR (2023)
Yulong Dong, Lin Lin, Hongkang Ni, Jiasu Wang
Robust iterative method for symmetric quantum signal processing in all parameter regimes. CoRR (2023)
Jin-Peng Liu, Lin Lin
Dense outputs from quantum simulations. CoRR (2023)
Jeffmin Lin, Gil Goldshlager, Lin Lin
Explicitly antisymmetrized neural network layers for variational Monte Carlo simulation. J. Comput. Phys. 474 (2023)
Di Fang, Lin Lin, Yu Tong
Time-marching based quantum solvers for time-dependent linear differential equations. Quantum 7 (2023)
Shizhe Jiao, Zhenlin Zhang, Kai Wu, Lingyun Wan, Huanhuan Ma, Jielan Li, Sheng Chen, Xinming Qin, Jie Liu, Zijing Ding, Jinlong Yang, Yingzhou Li, Wei Hu, Lin Lin, Chao Yang
KSSOLV 2.0: An efficient MATLAB toolbox for solving the Kohn-Sham equations with plane-wave basis set. Comput. Phys. Commun. 279 (2022)
Jiahao Yao, Haoya Li, Marin Bukov, Lin Lin, Lexing Ying
Monte Carlo Tree Search based Hybrid Optimization of Variational Quantum Circuits. MSML (2022)
Dong An, Lin Lin, Michael Lindsey
Towards sharp error analysis of extended Lagrangian molecular dynamics. J. Comput. Phys. 466 (2022)
Dong An, Di Fang, Lin Lin
Parallel transport dynamics for mixed quantum states with applications to time-dependent density functional theory. J. Comput. Phys. 451 (2022)
Di Fang, Lin Lin, Yu Tong
Time-marching based quantum solvers for time-dependent linear differential equations. CoRR (2022)
Dong An, Di Fang, Lin Lin
Time-dependent Hamiltonian Simulation of Highly Oscillatory Dynamics and Superconvergence for Schrödinger Equation. Quantum 6 (2022)
Yulong Dong, Lin Lin, Yu Tong
Ground state preparation and energy estimation on early fault-tolerant quantum computers via quantum eigenvalue transformation of unitary matrices. CoRR (2022)
Jiahao Yao, Haoya Li, Marin Bukov, Lin Lin, Lexing Ying
Monte Carlo Tree Search based Hybrid Optimization of Variational Quantum Circuits. CoRR (2022)
Jiahao Yao, Paul Köttering, Hans Gundlach, Lin Lin, Marin Bukov
Noise-Robust End-to-End Quantum Control using Deep Autoregressive Policy Networks. MSML (2021)
Dong An, Sara Y. Cheng, Teresa Head-Gordon, Lin Lin, Jianfeng Lu
Convergence of stochastic-extended Lagrangian molecular dynamics method for polarizable force field simulation. J. Comput. Phys. 438 (2021)
Dong An, Di Fang, Lin Lin
Parallel transport dynamics for mixed quantum states with applications to time-dependent density functional theory. CoRR (2021)
Lin Lin, Yu Tong
Low-Rank Representation of Tensor Network Operators with Long-Range Pairwise Interactions. SIAM J. Sci. Comput. 43 (1) (2021)
Dong An, Di Fang, Lin Lin
Time-dependent Hamiltonian Simulation of Highly Oscillatory Dynamics. CoRR (2021)
Leonardo Zepeda-Núñez, Yixiao Chen, Jiefu Zhang, Weile Jia, Linfeng Zhang, Lin Lin
Deep Density: Circumventing the Kohn-Sham equations via symmetry preserving neural networks. J. Comput. Phys. 443 (2021)
Dong An, Di Fang, Lin Lin
Time-dependent unbounded Hamiltonian simulation with vector norm scaling. Quantum 5 (2021)
Denghui Lu, Han Wang, Mohan Chen, Lin Lin, Roberto Car, Weinan E, Weile Jia, Linfeng Zhang
accuracy. Comput. Phys. Commun. 259 (2021)
Yu Tong, Dong An, Nathan Wiebe, Lin Lin
Fast inversion, preconditioned quantum linear system solvers, and fast evaluation of matrix functions. CoRR (2020)
Dong An, Di Fang, Lin Lin
Time-dependent unbounded Hamiltonian simulation with vector norm scaling. CoRR (2020)
Dong An, Lin Lin
Quantum Dynamics with the Parallel Transport Gauge. Multiscale Model. Simul. 18 (2) (2020)
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, José E. Román, Álvaro Vázquez-Mayagoitia, Chao Yang, Volker Blum
ELSI - An open infrastructure for electronic structure solvers. Comput. Phys. Commun. 256 (2020)
Jie Liu, Lin Lin, Zhen Li, Hao Guo, Yancheng Lv
Spare Aeroengine Demand Prediction Model Based on Deep Croston Method. J. Aerosp. Inf. Syst. 17 (2) (2020)
Yuehaw Khoo, Lin Lin, Michael Lindsey, Lexing Ying
Semidefinite Relaxation of Multimarginal Optimal Transport for Strictly Correlated Electrons in Second Quantization. SIAM J. Sci. Comput. 42 (6) (2020)
Jiefu Zhang, Leonardo Zepeda-Núñez, Yuan Yao, Lin Lin
Learning the mapping $\mathbf{x}\mapsto \sum_{i=1}^d x_i^2$: the cost of finding the needle in a haystack. CoRR (2020)
Lin Lin, Yu Tong
Optimal polynomial based quantum eigenstate filtering with application to solving quantum linear systems. Quantum 4 (2020)
Denghui Lu, Han Wang, Mohan Chen, Jiduan Liu, Lin Lin, Roberto Car, Weinan E, Weile Jia, Linfeng Zhang
86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy. CoRR (2020)
Lin Lin, Yu Tong
Near-optimal ground state preparation. CoRR (2020)
Dong An, Lin Lin, Ze Xu
Split representation of adaptively compressed polarizability operator. CoRR (2020)
Yifan Peng, Lin Lin, Lexing Ying, Leonardo Zepeda-Núñez
Efficient Long-Range Convolutions for Point Clouds. CoRR (2020)
Lin Lin, Yu Tong
Near-optimal ground state preparation. Quantum 4 (2020)
Dong An, Lin Lin, Michael Lindsey
Towards sharp error analysis of extended Lagrangian molecular dynamics. CoRR (2020)
Weile Jia, Han Wang, Mohan Chen, Denghui Lu, Lin Lin, Roberto Car, Weinan E, Linfeng Zhang
accuracy to 100 million atoms with machine learning. SC (2020)
Lin Lin, Jianfeng Lu, Lexing Ying
Numerical methods for Kohn-Sham density functional theory. Acta Numer. 28 (2019)
Leonardo Zepeda-Núñez, Yixiao Chen, Jiefu Zhang, Weile Jia, Linfeng Zhang, Lin Lin
Deep Density: circumventing the Kohn-Sham equations via symmetry preserving neural networks. CoRR (2019)
Jiequn Han, Yingzhou Li, Lin Lin, Jianfeng Lu, Jiefu Zhang, Linfeng Zhang
Universal approximation of symmetric and anti-symmetric functions. CoRR (2019)
Weile Jia, Lin Lin
Fast real-time time-dependent hybrid functional calculations with the parallel transport gauge and the adaptively compressed exchange formulation. Comput. Phys. Commun. 240 (2019)
Yingzhou Li, Lin Lin
Globally Constructed Adaptive Local Basis Set for Spectral Projectors of Second Order Differential Operators. Multiscale Model. Simul. 17 (1) (2019)
Weile Jia, Lin-Wang Wang, Lin Lin
Parallel transport time-dependent density functional theory calculations with hybrid functional on summit. SC (2019)
Lin Lin, Leonardo Zepeda-Núñez
Projection-Based Embedding Theory for Solving Kohn-Sham Density Functional Theory. Multiscale Model. Simul. 17 (4) (2019)
Yuwei Fan, Lin Lin, Lexing Ying, Leonardo Zepeda-Núñez
A Multiscale Neural Network Based on Hierarchical Matrices. Multiscale Model. Simul. 17 (4) (2019)
Lin Lin, Yu Tong
Solving quantum linear system problem with near-optimal complexity. CoRR (2019)
Jiang Hu, Bo Jiang, Lin Lin, Zaiwen Wen, Ya-Xiang Yuan
Structured Quasi-Newton Methods for Optimization with Orthogonality Constraints. SIAM J. Sci. Comput. 41 (4) (2019)
Dong An, Lin Lin
Quantum linear system solver based on time-optimal adiabatic quantum computing and quantum approximate optimization algorithm. CoRR (2019)
Lin Lin, Yu Tong
Low-rank representation of tensor network operators with long-range pairwise interactions. CoRR (2019)
Anil Damle, Antoine Levitt, Lin Lin
Variational Formulation for Wannier Functions with Entangled Band Structure. Multiscale Model. Simul. 17 (1) (2019)
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. 222 (2018)
Mathias Jacquelin, Lin Lin, Chao Yang
PSelInv - A distributed memory parallel algorithm for selected inversion: The non-symmetric case. Parallel Comput. 74 (2018)
Anil Damle, Lin Lin
Disentanglement via Entanglement: A Unified Method for Wannier Localization. Multiscale Model. Simul. 16 (3) (2018)
Mathias Jacquelin, Lin Lin, Weile Jia, Yonghua Zhao, Chao Yang
A Left-Looking Selected Inversion Algorithm and Task Parallelism on Shared Memory Systems. HPC Asia (2018)
Wei Hu, Meiyue Shao, Andrea Cepellotti, Felipe H. da Jornada, Lin Lin, Kyle Thicke, Chao Yang, Steven G. Louie
Accelerating Optical Absorption Spectra and Exciton Energy Computation via Interpolative Separable Density Fitting. ICCS (2) (2018)
Meiyue Shao, Felipe H. da Jornada, Lin Lin, Chao Yang, Jack Deslippe, Steven G. Louie
A Structure Preserving Lanczos Algorithm for Computing the Optical Absorption Spectrum. SIAM J. Matrix Anal. Appl. 39 (2) (2018)
Mathias Jacquelin, Lin Lin, Chao Yang
PSelInv - A Distributed Memory Parallel Algorithm for Selected Inversion: The Symmetric Case. ACM Trans. Math. Softw. 43 (3) (2017)
Anil Damle, Lin Lin, Lexing Ying
Computing Localized Representations of the Kohn-Sham Subspace Via Randomization and Refinement. SIAM J. Sci. Comput. 39 (6) (2017)
Mathias Jacquelin, Lin Lin, Chao Yang
PSelInv - A Distributed Memory Parallel Algorithm for Selected Inversion: the non-symmetric Case. CoRR (2017)
Gaigong Zhang, Lin Lin, Wei Hu, Chao Yang, John E. Pask
Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations. J. Comput. Phys. 335 (2017)
Anil Damle, Lin Lin, Lexing Ying
SCDM-k: Localized orbitals for solids via selected columns of the density matrix. J. Comput. Phys. 334 (2017)
Lin Lin, Ze Xu, Lexing Ying
Phonon Calculations. Multiscale Model. Simul. 15 (1) (2017)
Mathias Jacquelin, Lin Lin, Nathan Wichmann, Chao Yang
Enhancing Scalability and Load Balancing of Parallel Selected Inversion via Tree-Based Asynchronous Communication. IPDPS (2016)
Mathias Jacquelin, Lin Lin, Weile Jia, Yonghua Zhao, Chao Yang
A Left-Looking Selected Inversion Algorithm and Task Parallelism on Shared Memory Systems. CoRR (2016)
Lin Lin, Yousef Saad, Chao Yang
Approximating Spectral Densities of Large Matrices. SIAM Rev. 58 (1) (2016)
Mathias Jacquelin, Lin Lin, Nathan Wichmann, Chao Yang
Enhancing the scalability and load balancing of the parallel selected inversion algorithm via tree-based asynchronous communication. CoRR (2015)
Fang Liu, Lin Lin, Derek Vigil-Fowler, Johannes Lischner, Alexander F. Kemper, Sahar Sharifzadeh, Felipe H. da Jornada, Jack Deslippe, Chao Yang, Jeffrey B. Neaton, Steven G. Louie
Numerical integration for ab initio many-electron self energy calculations within the GW approximation. J. Comput. Phys. 286 (2015)
Lin Lin, Jianfeng Lu, Sihong Shao
Analysis of Time Reversible Born-Oppenheimer Molecular Dynamics. Entropy 16 (1) (2014)
Hasan Metin Aktulga, Lin Lin, Christopher Haine, Esmond G. Ng, Chao Yang
Parallel eigenvalue calculation based on multiple shift-invert Lanczos and contour integral based spectral projection method. Parallel Comput. 40 (7) (2014)
Anil Damle, Lin Lin, Lexing Ying
Pole Expansion for Solving a Type of Parametrized Linear Systems in Electronic Structure Calculations. SIAM J. Sci. Comput. 36 (6) (2014)
Mathias Jacquelin, Lin Lin, Chao Yang
PSelInv - A Distributed Memory Parallel Algorithm for Selected Inversion : the Symmetric Case. CoRR (2014)
Lin Lin, Sihong Shao, Weinan E
Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory. J. Comput. Phys. 245 (2013)
Lin Lin, Chao Yang
Elliptic Preconditioner for Accelerating the Self-Consistent Field Iteration in Kohn-Sham Density Functional Theory. SIAM J. Sci. Comput. 35 (5) (2013)
Lin Lin, Jianfeng Lu, Lexing Ying, Weinan E
Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation. J. Comput. Phys. 231 (4) (2012)
Lin Lin, Jianfeng Lu, Lexing Ying, Weinan E
Optimized local basis set for Kohn-Sham density functional theory. J. Comput. Phys. 231 (13) (2012)
Lin Lin, Chao Yang, Jianfeng Lu, Lexing Ying, Weinan E
A Fast Parallel Algorithm for Selected Inversion of Structured Sparse Matrices with Application to 2D Electronic Structure Calculations. SIAM J. Sci. Comput. 33 (3) (2011)
Lin Lin, Jianfeng Lu, Lexing Ying
Fast construction of hierarchical matrix representation from matrix-vector multiplication. J. Comput. Phys. 230 (10) (2011)
Lin Lin, Chao Yang, Juan C. Meza, Jianfeng Lu, Lexing Ying, Weinan E
SelInv - An Algorithm for Selected Inversion of a Sparse Symmetric Matrix. ACM Trans. Math. Softw. 37 (4) (2011)