These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

114 related articles for article (PubMed ID: 19624177)

  • 1. Density functional theory calculation on many-cores hybrid central processing unit-graphic processing unit architectures.
    Genovese L; Ospici M; Deutsch T; Méhaut JF; Neelov A; Goedecker S
    J Chem Phys; 2009 Jul; 131(3):034103. PubMed ID: 19624177
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Daubechies wavelets as a basis set for density functional pseudopotential calculations.
    Genovese L; Neelov A; Goedecker S; Deutsch T; Ghasemi SA; Willand A; Caliste D; Zilberberg O; Rayson M; Bergman A; Schneider R
    J Chem Phys; 2008 Jul; 129(1):014109. PubMed ID: 18624472
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Large-scale parallel configuration interaction. I. Nonrelativistic and scalar-relativistic general active space implementation with application to (Rb-Ba)+.
    Knecht S; Jensen HJ; Fleig T
    J Chem Phys; 2008 Jan; 128(1):014108. PubMed ID: 18190186
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A GPU solvent-solvent interaction calculation accelerator for biomolecular simulations using the GROMOS software.
    Schmid N; Bötschi M; van Gunsteren WF
    J Comput Chem; 2010 Jun; 31(8):1636-43. PubMed ID: 20127715
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Performance evaluation of image processing algorithms on the GPU.
    Castaño-Díez D; Moser D; Schoenegger A; Pruggnaller S; Frangakis AS
    J Struct Biol; 2008 Oct; 164(1):153-60. PubMed ID: 18692140
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Accelerating resolution-of-the-identity second-order Møller-Plesset quantum chemistry calculations with graphical processing units.
    Vogt L; Olivares-Amaya R; Kermes S; Shao Y; Amador-Bedolla C; Aspuru-Guzik A
    J Phys Chem A; 2008 Mar; 112(10):2049-57. PubMed ID: 18229900
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Accelerating VASP electronic structure calculations using graphic processing units.
    Hacene M; Anciaux-Sedrakian A; Rozanska X; Klahr D; Guignon T; Fleurat-Lessard P
    J Comput Chem; 2012 Dec; 33(32):2581-9. PubMed ID: 22903247
    [TBL] [Abstract][Full Text] [Related]  

  • 8. GPU Accelerated Implementation of Density Functional Theory for Hybrid QM/MM Simulations.
    Nitsche MA; Ferreria M; Mocskos EE; González Lebrero MC
    J Chem Theory Comput; 2014 Mar; 10(3):959-67. PubMed ID: 26580175
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project.
    Andrade X; Alberdi-Rodriguez J; Strubbe DA; Oliveira MJ; Nogueira F; Castro A; Muguerza J; Arruabarrena A; Louie SG; Aspuru-Guzik A; Rubio A; Marques MA
    J Phys Condens Matter; 2012 Jun; 24(23):233202. PubMed ID: 22562950
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A new massively parallel version of CRYSTAL for large systems on high performance computing architectures.
    Orlando R; Delle Piane M; Bush IJ; Ugliengo P; Ferrabone M; Dovesi R
    J Comput Chem; 2012 Oct; 33(28):2276-84. PubMed ID: 22815143
    [TBL] [Abstract][Full Text] [Related]  

  • 11. GPU acceleration of local and semilocal density functional calculations in the SPARC electronic structure code.
    Sharma A; Metere A; Suryanarayana P; Erlandson L; Chow E; Pask JE
    J Chem Phys; 2023 May; 158(20):. PubMed ID: 37249229
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Porting ONETEP to graphical processing unit-based coprocessors. 1. FFT box operations.
    Wilkinson K; Skylaris CK
    J Comput Chem; 2013 Oct; 34(28):2446-59. PubMed ID: 24038140
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Rubus: A compiler for seamless and extensible parallelism.
    Adnan M; Aslam F; Nawaz Z; Sarwar SM
    PLoS One; 2017; 12(12):e0188721. PubMed ID: 29211758
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Shared-memory parallelization of the TURBOMOLE programs AOFORCE, ESCF, and EGRAD: how to quickly parallelize legacy code.
    van Wüllen C
    J Comput Chem; 2011 Apr; 32(6):1195-201. PubMed ID: 21387346
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Large-scale parallel configuration interaction. II. Two- and four-component double-group general active space implementation with application to BiH.
    Knecht S; Jensen HJ; Fleig T
    J Chem Phys; 2010 Jan; 132(1):014108. PubMed ID: 20078150
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Mesh-particle interpolations on graphics processing units and multicore central processing units.
    Rossinelli D; Conti C; Koumoutsakos P
    Philos Trans A Math Phys Eng Sci; 2011 Jun; 369(1944):2164-75. PubMed ID: 21536562
    [TBL] [Abstract][Full Text] [Related]  

  • 17. GPU Acceleration of Large-Scale Full-Frequency GW Calculations.
    Yu VW; Govoni M
    J Chem Theory Comput; 2022 Aug; 18(8):4690-4707. PubMed ID: 35913080
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Hybrid CPU/GPU Integral Engine for Strong-Scaling Ab Initio Methods.
    Kussmann J; Ochsenfeld C
    J Chem Theory Comput; 2017 Jul; 13(7):3153-3159. PubMed ID: 28636392
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Real-Space Density Functional Theory on Graphical Processing Units: Computational Approach and Comparison to Gaussian Basis Set Methods.
    Andrade X; Aspuru-Guzik A
    J Chem Theory Comput; 2013 Oct; 9(10):4360-73. PubMed ID: 26589153
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Structural Determination of (Al2O3)(n) (n = 1-15) Clusters Based on Graphic Processing Unit.
    Zhang Q; Cheng L
    J Chem Inf Model; 2015 May; 55(5):1012-20. PubMed ID: 25928795
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.