Lin L - Search Results

1

Siesta: Recent developments and applications.

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, García-Suárez VM, García S, Huhs G, Illera S, Korytár R, Koval P, Lebedeva I, Lin L, López-Tarifa P, Mayo SG, Mohr S, Ordejón P, Postnikov A, Pouillon Y, Pruneda M, Robles R, Sánchez-Portal D, Soler JM, Ullah R, Yu VW, Junquera J. García A, et al. Among authors: lin l. J Chem Phys. 2020 May 29;152(20):204108. doi: 10.1063/5.0005077. J Chem Phys. 2020. PMID: 32486661

2

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

Lin L, García A, Huhs G, Yang C. Lin L, et al. J Phys Condens Matter. 2014 Jul 30;26(30):305503. doi: 10.1088/0953-8984/26/30/305503. Epub 2014 Jul 10. J Phys Condens Matter. 2014. PMID: 25007803

3

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

Hu W, Lin L, Yang C. Hu W, et al. Among authors: lin l. J Chem Phys. 2015 Sep 28;143(12):124110. doi: 10.1063/1.4931732. J Chem Phys. 2015. PMID: 26428999

4

Robust determination of the chemical potential in the pole expansion and selected inversion method for solving Kohn-Sham density functional theory.

Jia W, Lin L. Jia W, et al. Among authors: lin l. J Chem Phys. 2017 Oct 14;147(14):144107. doi: 10.1063/1.5000255. J Chem Phys. 2017. PMID: 29031270

5

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

Banerjee AS, Lin L, Hu W, Yang C, Pask JE. Banerjee AS, et al. Among authors: lin l. J Chem Phys. 2016 Oct 21;145(15):154101. doi: 10.1063/1.4964861. J Chem Phys. 2016. PMID: 27782453 Free article.

6

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

Hu W, Lin L, Yang C, Yang J. Hu W, et al. Among authors: lin l. J Chem Phys. 2014 Dec 7;141(21):214704. doi: 10.1063/1.4902806. J Chem Phys. 2014. PMID: 25481158

With the help of the recently developed SIESTA-pole (Spanish Initiative for Electronic Simulations with Thousands of Atoms) - PEXSI (pole expansion and selected inversion) method [L. Lin, A. Garcia, G. Huhs, and C. Yang, J. Phys.: Condens. Matter 26, 305503 (2014)], …

With the help of the recently developed SIESTA-pole (Spanish Initiative for Electronic Simulations with Thousands of Atoms) - PEXSI (pole ex …

7

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

Damle A, Lin L, Ying L. Damle A, et al. Among authors: lin l. J Chem Theory Comput. 2015 Apr 14;11(4):1463-9. doi: 10.1021/ct500985f. J Chem Theory Comput. 2015. PMID: 26574357

8

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

Hu W, Lin L, Banerjee AS, Vecharynski E, Yang C. Hu W, et al. Among authors: lin l. J Chem Theory Comput. 2017 Mar 14;13(3):1188-1198. doi: 10.1021/acs.jctc.6b01184. Epub 2017 Feb 17. J Chem Theory Comput. 2017. PMID: 28177229

9

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

Hu W, Lin L, Yang C. Hu W, et al. Among authors: lin l. J Chem Theory Comput. 2017 Nov 14;13(11):5420-5431. doi: 10.1021/acs.jctc.7b00807. Epub 2017 Oct 13. J Chem Theory Comput. 2017. PMID: 28960982

10

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

Jia W, An D, Wang LW, Lin L. Jia W, et al. Among authors: lin l. J Chem Theory Comput. 2018 Nov 13;14(11):5645-5652. doi: 10.1021/acs.jctc.8b00580. Epub 2018 Nov 2. J Chem Theory Comput. 2018. PMID: 30351935

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