Year |
Citation |
Score |
2020 |
García A, Papior N, Akhtar A, Artacho E, Blum V, Bosoni E, Brandimarte P, Brandbyge M, Cerdá JI, Corsetti F, Cuadrado R, Dikan V, Ferrer J, Gale J, García-Fernández P, ... ... Lin L, et al. Siesta: Recent developments and applications. The Journal of Chemical Physics. 152: 204108. PMID 32486661 DOI: 10.1063/5.0005077 |
0.357 |
|
2020 |
Henneke F, Lin L, Vorwerk C, Draxl C, Klein R, Yang C. Fast optical absorption spectra calculations for periodic solid state systems Arxiv: Computational Physics. 15: 89-113. DOI: 10.2140/Camcos.2020.15.89 |
0.329 |
|
2020 |
Wu X, Lindsey M, Zhou T, Tong Y, Lin L. Enhancing robustness and efficiency of density matrix embedding theory via semidefinite programming and local correlation potential fitting Physical Review B. 102. DOI: 10.1103/Physrevb.102.085123 |
0.339 |
|
2020 |
Mejuto-Zaera C, Zepeda-Núñez L, Lindsey M, Tubman N, Whaley B, Lin L. Efficient hybridization fitting for dynamical mean-field theory via semi-definite relaxation Physical Review B. 101. DOI: 10.1103/Physrevb.101.035143 |
0.314 |
|
2020 |
Yu VW, Campos C, Dawson W, García A, Havu V, Hourahine B, Huhn WP, Jacquelin M, Jia W, Keçeli M, Laasner R, Li Y, Lin L, Lu J, Moussa J, et al. ELSI — An open infrastructure for electronic structure solvers Computer Physics Communications. 256: 107459. DOI: 10.1016/J.Cpc.2020.107459 |
0.371 |
|
2020 |
Lin L, Lindsey M. Sparsity Pattern of the Self-energy for Classical and Quantum Impurity Problems Annales Henri Poincaré. 21: 2219-2257. DOI: 10.1007/S00023-020-00917-1 |
0.301 |
|
2019 |
Lee J, Lin L, Head-Gordon M. Systematically Improvable Tensor Hypercontraction: Interpolative Separable Density-Fitting for Molecules Applied to Exact Exchange, Second- and Third-Order Møller-Plesset Perturbation Theory. Journal of Chemical Theory and Computation. PMID 31794667 DOI: 10.1021/Acs.Jctc.9B00820 |
0.335 |
|
2019 |
Damle A, Levitt A, Lin L. Variational Formulation for Wannier Functions with Entangled Band Structure Multiscale Modeling & Simulation. 17: 167-191. DOI: 10.1137/18M1167164 |
0.304 |
|
2019 |
Li Y, Lin L. Globally Constructed Adaptive Local Basis Set for Spectral Projectors of Second Order Differential Operators Multiscale Modeling & Simulation. 17: 92-116. DOI: 10.1137/17M1140236 |
0.314 |
|
2019 |
Wu X, Cui Z, Tong Y, Lindsey M, Chan GK, Lin L. Projected density matrix embedding theory with applications to the two-dimensional Hubbard model Journal of Chemical Physics. 151: 64108-64108. DOI: 10.1063/1.5108818 |
0.315 |
|
2019 |
Lin L, Lu J, Ying L. Numerical methods for Kohn–Sham density functional theory Acta Numerica. 28: 405-539. DOI: 10.1017/S0962492919000047 |
0.338 |
|
2019 |
Jia W, Lin L. Fast real-time time-dependent hybrid functional calculations with the parallel transport gauge and the adaptively compressed exchange formulation Computer Physics Communications. 240: 21-29. DOI: 10.1016/J.Cpc.2019.02.009 |
0.344 |
|
2018 |
Jia W, An D, Wang LW, Lin L. Fast real-time time-dependent density functional theory calculations with the parallel transport gauge. Journal of Chemical Theory and Computation. PMID 30351935 DOI: 10.1021/Acs.Jctc.8B00580 |
0.326 |
|
2018 |
Banerjee AS, Lin L, Suryanarayana P, Yang C, Pask JE. Two-level Chebyshev filter based complementary subspace method: pushing the envelope of large-scale electronic structure calculations. Journal of Chemical Theory and Computation. PMID 29660292 DOI: 10.1021/Acs.Jctc.7B01243 |
0.37 |
|
2018 |
Lin L, Lindsey M. Variational structure of Luttinger-Ward formalism and bold diagrammatic expansion for Euclidean lattice field theory. Proceedings of the National Academy of Sciences of the United States of America. PMID 29463752 DOI: 10.1073/Pnas.1720782115 |
0.316 |
|
2018 |
Dong K, Hu W, Lin L. Interpolative Separable Density Fitting through Centroidal Voronoi Tessellation With Applications to Hybrid Functional Electronic Structure Calculations. Journal of Chemical Theory and Computation. PMID 29370521 DOI: 10.1021/Acs.Jctc.7B01113 |
0.369 |
|
2018 |
Yu VW, Corsetti F, García A, Huhn WP, Jacquelin M, Jia W, Lange B, Lin L, Lu J, Mi W, Seifitokaldani A, Vázquez-Mayagoitia Á, Yang C, Yang H, Blum V. ELSI: A Unified Software Interface for Kohn-Sham Electronic Structure Solvers Computer Physics Communications. 222: 267-285. DOI: 10.1016/J.Cpc.2017.09.007 |
0.353 |
|
2017 |
Jia W, Lin L. Robust determination of the chemical potential in the pole expansion and selected inversion method for solving Kohn-Sham density functional theory. The Journal of Chemical Physics. 147: 144107. PMID 29031270 DOI: 10.1063/1.5000255 |
0.357 |
|
2017 |
Hu W, Lin L, Yang C. Interpolative Separable Density Fitting Decomposition for Accelerating Hybrid Density Functional Calculations With Applications to Defects in Silicon. Journal of Chemical Theory and Computation. PMID 28960982 DOI: 10.1021/Acs.Jctc.7B00807 |
0.383 |
|
2017 |
Hu W, Lin L, Yang C. Projected Commutator DIIS Method for Accelerating Hybrid Functional Electronic Structure Calculations. Journal of Chemical Theory and Computation. PMID 28937762 DOI: 10.1021/Acs.Jctc.7B00892 |
0.376 |
|
2017 |
Hu W, Lin L, Banerjee AS, Vecharynski E, Yang C. Adaptively Compressed Exchange Operator for Large Scale Hybrid Density Functional Calculations with Applications to the Adsorption of Water on Silicene. Journal of Chemical Theory and Computation. PMID 28177229 DOI: 10.1021/Acs.Jctc.6B01184 |
0.355 |
|
2017 |
Jacquelin M, Lin L, Yang C. PSelInv—A Distributed Memory Parallel Algorithm for Selected Inversion: The Symmetric Case Acm Transactions On Mathematical Software. 43: 21. DOI: 10.1145/2786977 |
0.306 |
|
2017 |
Damle A, Lin L, Ying L. Computing Localized Representations of the Kohn--Sham Subspace Via Randomization and Refinement Siam Journal On Scientific Computing. 39. DOI: 10.1137/16M1098589 |
0.338 |
|
2017 |
Lin L, Xu Z, Ying L. Adaptively Compressed Polarizability Operator for Accelerating Large Scale Ab Initio Phonon Calculations Multiscale Modeling & Simulation. 15: 29-55. DOI: 10.1137/16M1077325 |
0.345 |
|
2017 |
Zhang G, Lin L, Hu W, Yang C, Pask JE. Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations Journal of Computational Physics. 335: 426-443. DOI: 10.1016/J.Jcp.2016.12.052 |
0.332 |
|
2016 |
Banerjee AS, Lin L, Hu W, Yang C, Pask JE. Chebyshev polynomial filtered subspace iteration in the discontinuous Galerkin method for large-scale electronic structure calculations. The Journal of Chemical Physics. 145: 154101. PMID 27782453 DOI: 10.1063/1.4964861 |
0.368 |
|
2016 |
Lin L. Adaptively Compressed Exchange Operator. Journal of Chemical Theory and Computation. PMID 27045571 DOI: 10.1021/Acs.Jctc.6B00092 |
0.324 |
|
2016 |
Lin L, Saad Y, Yang C. Approximating spectral densities of large matrices Siam Review. 58: 34-65. DOI: 10.1137/130934283 |
0.332 |
|
2016 |
Li P, Liu X, Chen M, Lin P, Ren X, Lin L, Yang C, He L. Large-scale ab initio simulations based on systematically improvable atomic basis Computational Materials Science. 112: 503-517. DOI: 10.1016/J.Commatsci.2015.07.004 |
0.315 |
|
2016 |
Shao M, Lin L, Yang C, Liu F, Da Jornada FH, Deslippe J, Louie SG. Low rank approximation in G 0 W 0 calculations Science China Mathematics. 59: 1593-1612. DOI: 10.1007/S11425-016-0296-X |
0.321 |
|
2016 |
Lin L. Randomized estimation of spectral densities of large matrices made accurate Numerische Mathematik. 1-31. DOI: 10.1007/S00211-016-0837-7 |
0.343 |
|
2015 |
van Setten MJ, Caruso F, Sharifzadeh S, Ren X, Scheffler M, Liu F, Lischner J, Lin L, Deslippe JR, Louie SG, Yang C, Weigend F, Neaton JB, Evers F, Rinke P. GW100: Benchmarking G0W0 for Molecular Systems. Journal of Chemical Theory and Computation. 11: 5665-5687. PMID 26642984 DOI: 10.1021/Acs.Jctc.5B00453 |
0.321 |
|
2015 |
Damle A, Lin L, Ying L. Compressed Representation of Kohn-Sham Orbitals via Selected Columns of the Density Matrix. Journal of Chemical Theory and Computation. 11: 1463-9. PMID 26574357 DOI: 10.1021/Ct500985F |
0.379 |
|
2015 |
Hu W, Lin L, Yang C. DGDFT: A massively parallel method for large scale density functional theory calculations. The Journal of Chemical Physics. 143: 124110. PMID 26428999 DOI: 10.1063/1.4931732 |
0.379 |
|
2015 |
Hu W, Lin L, Yang C. Edge reconstruction in armchair phosphorene nanoribbons revealed by discontinuous Galerkin density functional theory. Physical Chemistry Chemical Physics : Pccp. PMID 25698178 DOI: 10.1039/C5Cp00333D |
0.374 |
|
2014 |
Lin L, García A, Huhs G, Yang C. SIESTA-PEXSI: massively parallel method for efficient and accurate ab initio materials simulation without matrix diagonalization. Journal of Physics: Condensed Matter. 26: 305503. PMID 25007803 DOI: 10.1088/0953-8984/26/30/305503 |
0.375 |
|
2014 |
Damle A, Lin L, Ying L. Pole Expansion for Solving a Type of Parametrized Linear Systems in Electronic Structure Calculations Siam Journal On Scientific Computing. 36. DOI: 10.1137/130944825 |
0.318 |
|
2013 |
Lin L, Chen M, Yang C, He L. Accelerating atomic orbital-based electronic structure calculation via pole expansion and selected inversion. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 295501. PMID 23803312 DOI: 10.1088/0953-8984/25/29/295501 |
0.343 |
|
2013 |
Lin L, Yang C. Elliptic Preconditioner for Accelerating the Self-Consistent Field Iteration in Kohn--Sham Density Functional Theory Siam Journal On Scientific Computing. 35. DOI: 10.1137/120880604 |
0.306 |
|
2013 |
Mendl CB, Lin L. Kantorovich dual solution for strictly correlated electrons in atoms and molecules Physical Review B. 87: 125106. DOI: 10.1103/Physrevb.87.125106 |
0.343 |
|
2013 |
Lin L, Shao S, E W. Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory Journal of Computational Physics. 245: 205-217. DOI: 10.1016/J.Jcp.2013.03.030 |
0.334 |
|
2012 |
Lin L, Ying L. Element orbitals for Kohn-Sham density functional theory Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.235144 |
0.341 |
|
2012 |
Lin L, Lu J, Ying L, E W. Optimized local basis set for Kohn-Sham density functional theory Journal of Computational Physics. 231: 4515-4529. DOI: 10.1016/J.Jcp.2012.03.009 |
0.334 |
|
2012 |
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. 231: 2140-2154. DOI: 10.1016/J.Jcp.2011.11.032 |
0.362 |
|
2011 |
Lin L, Yang C, Meza JC, Lu J, Ying L, E W. SelInv---An Algorithm for Selected Inversion of a Sparse Symmetric Matrix Acm Transactions On Mathematical Software. 37: 40. DOI: 10.1145/1916461.1916464 |
0.315 |
|
2011 |
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. 33: 1329-1351. DOI: 10.1137/09077432X |
0.322 |
|
2009 |
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 Communications in Mathematical Sciences. 7: 755-777. DOI: 10.4310/Cms.2009.V7.N3.A12 |
0.31 |
|
2009 |
Lin L, Lu J, Car R, Weinan E. Multipole representation of the Fermi operator with application to the electronic structure analysis of metallic systems Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.115133 |
0.336 |
|
2009 |
Lin L, Lu J, Ying L, Weinan E. Pole-Based approximation of the Fermi-Dirac function Chinese Annals of Mathematics, Series B. 30: 729-742. DOI: 10.1007/S11401-009-0201-7 |
0.32 |
|
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