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 *

267 related articles for article (PubMed ID: 25106563)

  • 1. Communication: A reduced scaling J-engine based reformulation of SOS-MP2 using graphics processing units.
    Maurer SA; Kussmann J; Ochsenfeld C
    J Chem Phys; 2014 Aug; 141(5):051106. PubMed ID: 25106563
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity.
    Song C; Martínez TJ
    J Chem Phys; 2016 May; 144(17):174111. PubMed ID: 27155629
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Selected-Nuclei Method for the Computation of Hyperfine Coupling Constants within Second-Order Møller-Plesset Perturbation Theory.
    Vogler S; Savasci G; Ludwig M; Ochsenfeld C
    J Chem Theory Comput; 2018 Jun; 14(6):3014-3024. PubMed ID: 29762028
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction.
    Song C; Martínez TJ
    J Chem Phys; 2017 Jan; 146(3):034104. PubMed ID: 28109237
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Resolution of the identity atomic orbital Laplace transformed second order Møller-Plesset theory for nonconducting periodic systems.
    Izmaylov AF; Scuseria GE
    Phys Chem Chem Phys; 2008 Jun; 10(23):3421-9. PubMed ID: 18535725
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Linear-scaling symmetry-adapted perturbation theory with scaled dispersion.
    Maurer SA; Beer M; Lambrecht DS; Ochsenfeld C
    J Chem Phys; 2013 Nov; 139(18):184104. PubMed ID: 24320251
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Tighter multipole-based integral estimates and parallel implementation of linear-scaling AO-MP2 theory.
    Doser B; Lambrecht DS; Ochsenfeld C
    Phys Chem Chem Phys; 2008 Jun; 10(23):3335-44. PubMed ID: 18535715
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Quantum supercharger library: hyper-parallelism of the Hartree-Fock method.
    Fernandes KD; Renison CA; Naidoo KJ
    J Comput Chem; 2015 Jul; 36(18):1399-409. PubMed ID: 25975763
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units.
    Song C; Martínez TJ
    J Chem Phys; 2017 Oct; 147(16):161723. PubMed ID: 29096499
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Low-Scaling Tensor Hypercontraction in the Cholesky Molecular Orbital Basis Applied to Second-Order Møller-Plesset Perturbation Theory.
    Bangerter FH; Glasbrenner M; Ochsenfeld C
    J Chem Theory Comput; 2021 Jan; 17(1):211-221. PubMed ID: 33375790
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: an efficient implementation for the density-fitted second-order Møller-Plesset perturbation theory.
    Bozkaya U
    J Chem Phys; 2014 Sep; 141(12):124108. PubMed ID: 25273413
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Sparse tensor based nuclear gradients for periodic Hartree-Fock and low-scaling correlated wave function methods in the CP2K software package: A massively parallel and GPU accelerated implementation.
    Bussy A; Schütt O; Hutter J
    J Chem Phys; 2023 Apr; 158(16):. PubMed ID: 37102449
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Linear-scaling atomic orbital-based second-order Møller-Plesset perturbation theory by rigorous integral screening criteria.
    Doser B; Lambrecht DS; Kussmann J; Ochsenfeld C
    J Chem Phys; 2009 Feb; 130(6):064107. PubMed ID: 19222267
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Quartic-Scaling Analytical Energy Gradient of Scaled Opposite-Spin Second-Order Møller-Plesset Perturbation Theory.
    Lochan RC; Shao Y; Head-Gordon M
    J Chem Theory Comput; 2007 May; 3(3):988-1003. PubMed ID: 26627418
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Preselective Screening for Linear-Scaling Exact Exchange-Gradient Calculations for Graphics Processing Units and General Strong-Scaling Massively Parallel Calculations.
    Kussmann J; Ochsenfeld C
    J Chem Theory Comput; 2015 Mar; 11(3):918-22. PubMed ID: 26579745
    [TBL] [Abstract][Full Text] [Related]  

  • 20. An atomic orbital-based reformulation of energy gradients in second-order Møller-Plesset perturbation theory.
    Schweizer S; Doser B; Ochsenfeld C
    J Chem Phys; 2008 Apr; 128(15):154101. PubMed ID: 18433184
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.