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 *

260 related articles for article (PubMed ID: 28133838)

  • 1. MPI/OpenMP hybrid parallel algorithm for resolution of identity second-order Møller-Plesset perturbation calculation of analytical energy gradient for massively parallel multicore supercomputers.
    Katouda M; Nakajima T
    J Comput Chem; 2017 Mar; 38(8):489-507. PubMed ID: 28133838
    [TBL] [Abstract][Full Text] [Related]  

  • 2. MPI/OpenMP Hybrid Parallel Algorithm of Resolution of Identity Second-Order Møller-Plesset Perturbation Calculation for Massively Parallel Multicore Supercomputers.
    Katouda M; Nakajima T
    J Chem Theory Comput; 2013 Dec; 9(12):5373-80. PubMed ID: 26592275
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Massively parallel algorithm and implementation of RI-MP2 energy calculation for peta-scale many-core supercomputers.
    Katouda M; Naruse A; Hirano Y; Nakajima T
    J Comput Chem; 2016 Nov; 37(30):2623-2633. PubMed ID: 27634573
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Analytical Gradient Using Cluster-in-Molecule RI-MP2 Method for the Geometry Optimizations of Large Systems.
    Zheng Y; Ni Z; Wang Y; Li W; Li S
    J Chem Theory Comput; 2024 May; 20(9):3626-3636. PubMed ID: 38626287
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The GPU-enabled divide-expand-consolidate RI-MP2 method (DEC-RI-MP2).
    Bykov D; Kjaergaard T
    J Comput Chem; 2017 Feb; 38(4):228-237. PubMed ID: 27925252
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Distributed memory parallel implementation of energies and gradients for second-order Møller-Plesset perturbation theory with the resolution-of-the-identity approximation.
    Hättig C; Hellweg A; Köhn A
    Phys Chem Chem Phys; 2006 Mar; 8(10):1159-69. PubMed ID: 16633596
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide-expand-consolidate RI-MP2 model.
    Baudin P; Ettenhuber P; Reine S; Kristensen K; Kjærgaard T
    J Chem Phys; 2016 Feb; 144(5):054102. PubMed ID: 26851903
    [TBL] [Abstract][Full Text] [Related]  

  • 8. New parallel algorithm for MP2 energy gradient calculations.
    Ishimura K; Pulay P; Nagase S
    J Comput Chem; 2007 Sep; 28(12):2034-42. PubMed ID: 17450568
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller-Plesset perturbation method.
    Pham BQ; Carrington L; Tiwari A; Leang SS; Alkan M; Bertoni C; Datta D; Sattasathuchana T; Xu P; Gordon MS
    J Chem Phys; 2023 Apr; 158(16):. PubMed ID: 37114705
    [TBL] [Abstract][Full Text] [Related]  

  • 10. An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: application to alanine tetrapeptide conformational analysis.
    Distasio RA; Steele RP; Rhee YM; Shao Y; Head-Gordon M
    J Comput Chem; 2007 Apr; 28(5):839-56. PubMed ID: 17219361
    [TBL] [Abstract][Full Text] [Related]  

  • 11. The molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory: The DEC-RI-MP2 gradient.
    Bykov D; Kristensen K; Kjærgaard T
    J Chem Phys; 2016 Jul; 145(2):024106. PubMed ID: 27421396
    [TBL] [Abstract][Full Text] [Related]  

  • 12. A Massively Parallel Implementation of the CCSD(T) Method Using the Resolution-of-the-Identity Approximation and a Hybrid Distributed/Shared Memory Parallelization Model.
    Datta D; Gordon MS
    J Chem Theory Comput; 2021 Aug; 17(8):4799-4822. PubMed ID: 34279094
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Development of the FMO/RI-MP2 Fully Analytic Gradient Using a Hybrid-Distributed/Shared Memory Programming Model.
    Pham BQ; Gordon MS
    J Chem Theory Comput; 2020 Feb; 16(2):1039-1054. PubMed ID: 31899632
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Electron Correlation in the Condensed Phase from a Resolution of Identity Approach Based on the Gaussian and Plane Waves Scheme.
    Del Ben M; Hutter J; VandeVondele J
    J Chem Theory Comput; 2013 Jun; 9(6):2654-71. PubMed ID: 26583860
    [TBL] [Abstract][Full Text] [Related]  

  • 15. PDG: A Composite Method Based on the Resolution of the Identity.
    Pham BQ; Datta D; Gordon MS
    J Phys Chem A; 2021 Oct; 125(42):9421-9429. PubMed ID: 34658243
    [TBL] [Abstract][Full Text] [Related]  

  • 16. RI-MP2 Gradient Calculation of Large Molecules Using the Fragment Molecular Orbital Method.
    Ishikawa T; Kuwata K
    J Phys Chem Lett; 2012 Feb; 3(3):375-9. PubMed ID: 26285854
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A new parallel algorithm of MP2 energy calculations.
    Ishimura K; Pulay P; Nagase S
    J Comput Chem; 2006 Mar; 27(4):407-13. PubMed ID: 16419017
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach.
    Del Ben M; Hutter J; VandeVondele J
    J Chem Phys; 2015 Sep; 143(10):102803. PubMed ID: 26373996
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A Resolution-Of-The-Identity Implementation of the Local Triatomics-In-Molecules Model for Second-Order Møller-Plesset Perturbation Theory with Application to Alanine Tetrapeptide Conformational Energies.
    DiStasio RA; Jung Y; Head-Gordon M
    J Chem Theory Comput; 2005 Sep; 1(5):862-76. PubMed ID: 26641903
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Accelerating Coupled-Cluster Calculations with GPUs: An Implementation of the Density-Fitted CCSD(T) Approach for Heterogeneous Computing Architectures Using OpenMP Directives.
    Datta D; Gordon MS
    J Chem Theory Comput; 2023 Nov; 19(21):7640-7657. PubMed ID: 37878756
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.