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Lin Lin
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GW100: Benchmarking G0W0 for Molecular Systems
MJ van Setten, F Caruso, S Sharifzadeh, X Ren, M Scheffler, F Liu, ...
Journal of chemical theory and computation 11 (12), 5665-5687, 2015
2762015
Highly efficient photocatalytic water splitting over edge-modified phosphorene nanoribbons
W Hu, L Lin, R Zhang, C Yang, J Yang
Journal of the American Chemical Society 139 (43), 15429-15436, 2017
2152017
Edge-modified phosphorene nanoflake heterojunctions as highly efficient solar cells
W Hu, L Lin, C Yang, J Dai, J Yang
Nano letters 16 (3), 1675-1682, 2016
1712016
Siesta: Recent developments and applications
A Garcia, N Papior, A Akhtar, E Artacho, V Blum, E Bosoni, P Brandimarte, ...
The Journal of chemical physics 152 (20), 204108, 2020
1632020
Approximating spectral densities of large matrices
L Lin, Y Saad, C Yang
SIAM review 58 (1), 34-65, 2016
1492016
Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning
W Jia, H Wang, M Chen, D Lu, L Lin, R Car, E Weinan, L Zhang
SC20: International conference for high performance computing, networking …, 2020
1292020
Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation
L Lin, J Lu, L Ying, E Weinan
Journal of Computational Physics 231 (4), 2140-2154, 2012
1172012
SelInv---An Algorithm for Selected Inversion of a Sparse Symmetric Matrix
L Lin, C Yang, JC Meza, J Lu, L Ying, W E
ACM Transactions on Mathematical Software (TOMS) 37 (4), 1-19, 2011
1172011
Fast algorithm for extracting the diagonal of the inverse matrix with application to the electronic structure analysis of metallic systems
L Lin, J Lu, L Ying, R Car, E Weinan
Communications in Mathematical Sciences 7 (3), 755-777, 2009
1172009
Adaptively compressed exchange operator
L Lin
Journal of chemical theory and computation 12 (5), 2242-2249, 2016
1142016
Fast construction of hierarchical matrix representation from matrix–vector multiplication
L Lin, J Lu, L Ying
Journal of Computational Physics 230 (10), 4071-4087, 2011
1072011
Accelerating atomic orbital-based electronic structure calculation via pole expansion and selected inversion
L Lin, M Chen, C Yang, L He
Journal of Physics: Condensed Matter 25 (29), 295501, 2013
922013
86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy
D Lu, H Wang, M Chen, L Lin, R Car, E Weinan, W Jia, L Zhang
Computer Physics Communications 259, 107624, 2021
862021
Tunneling and delocalization effects in hydrogen bonded systems: A study in position and momentum space
JA Morrone, L Lin, R Car
The Journal of chemical physics 130 (20), 204511, 2009
862009
Compressed representation of Kohn–Sham orbitals via selected columns of the density matrix
A Damle, L Lin, L Ying
Journal of chemical theory and computation 11 (4), 1463-1469, 2015
802015
Elliptic preconditioner for accelerating the self-consistent field iteration in Kohn--Sham density functional theory
L Lin, C Yang
SIAM Journal on Scientific Computing 35 (5), S277-S298, 2013
722013
ELSI: A unified software interface for Kohn–Sham electronic structure solvers
VW Yu, F Corsetti, A García, WP Huhn, M Jacquelin, W Jia, B Lange, L Lin, ...
Computer Physics Communications 222, 267-285, 2018
702018
Displaced path integral formulation for the momentum distribution of quantum particles
L Lin, JA Morrone, R Car, M Parrinello
Physical review letters 105 (11), 110602, 2010
692010
Pole-based approximation of the Fermi-Dirac function
L Lin, J Lu, L Ying, E Weinan
Chinese Annals of Mathematics, Series B 30 (6), 729-742, 2009
672009
DGDFT: A massively parallel method for large scale density functional theory calculations
W Hu, L Lin, C Yang
The Journal of chemical physics 143 (12), 124110, 2015
652015
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Articles 1–20