BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

267 related articles for article (PubMed ID: 26851903)

  • 1. 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]  

  • 2. 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]  

  • 3. Molecular gradient for second-order Møller-Plesset perturbation theory using the divide-expand-consolidate (DEC) scheme.
    Kristensen K; Jørgensen P; Jansík B; Kjærgaard T; Reine S
    J Chem Phys; 2012 Sep; 137(11):114102. PubMed ID: 22998244
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. The Laplace transformed divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation (DEC-LT-RIMP2) theory method.
    Kjærgaard T
    J Chem Phys; 2017 Jan; 146(4):044103. PubMed ID: 28147513
    [TBL] [Abstract][Full Text] [Related]  

  • 6. MP2 energy and density for large molecular systems with internal error control using the Divide-Expand-Consolidate scheme.
    Kristensen K; Høyvik IM; Jansik B; Jørgensen P; Kjærgaard T; Reine S; Jakowski J
    Phys Chem Chem Phys; 2012 Dec; 14(45):15706-14. PubMed ID: 23090588
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Multilayer Divide-Expand-Consolidate Coupled-Cluster Method: Demonstrative Calculations of the Adsorption Energy of Carbon Dioxide in the Mg-MOF-74 Metal-Organic Framework.
    Barnes AL; Bykov D; Lyakh DI; Straatsma TP
    J Phys Chem A; 2019 Oct; 123(40):8734-8743. PubMed ID: 31512869
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Explicitly correlated second-order Møller-Plesset perturbation theory in a Divide-Expand-Consolidate (DEC) context.
    Wang YM; Hättig C; Reine S; Valeev E; Kjærgaard T; Kristensen K
    J Chem Phys; 2016 May; 144(20):204112. PubMed ID: 27250284
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A hybrid scheme for the resolution-of-the-identity approximation in second-order Møller-Plesset linear-r(12) perturbation theory.
    Klopper W
    J Chem Phys; 2004 Jun; 120(23):10890-5. PubMed ID: 15268119
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Divide-Expand-Consolidate Second-Order Møller-Plesset Theory with Periodic Boundary Conditions.
    Rebolini E; Baardsen G; Hansen AS; Leikanger KR; Pedersen TB
    J Chem Theory Comput; 2018 May; 14(5):2427-2438. PubMed ID: 29554431
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Linear-Scaling Coupled Cluster with Perturbative Triple Excitations: The Divide-Expand-Consolidate CCSD(T) Model.
    Eriksen JJ; Baudin P; Ettenhuber P; Kristensen K; Kjærgaard T; Jørgensen P
    J Chem Theory Comput; 2015 Jul; 11(7):2984-93. PubMed ID: 26575735
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Application of second-order Møller-Plesset perturbation theory with resolution-of-identity approximation to periodic systems.
    Katouda M; Nagase S
    J Chem Phys; 2010 Nov; 133(18):184103. PubMed ID: 21073209
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Dual-basis second-order Moller-Plesset perturbation theory: A reduced-cost reference for correlation calculations.
    Steele RP; DiStasio RA; Shao Y; Kong J; Head-Gordon M
    J Chem Phys; 2006 Aug; 125(7):074108. PubMed ID: 16942323
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. Stochastic Formulation of the Resolution of Identity: Application to Second Order Møller-Plesset Perturbation Theory.
    Takeshita TY; de Jong WA; Neuhauser D; Baer R; Rabani E
    J Chem Theory Comput; 2017 Oct; 13(10):4605-4610. PubMed ID: 28914534
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 14.