BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

128 related articles for article (PubMed ID: 29554431)

  • 1. 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]  

  • 2. 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]  

  • 3. 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]  

  • 4. 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]  

  • 5. The divide-expand-consolidate family of coupled cluster methods: numerical illustrations using second order Møller-Plesset perturbation theory.
    Høyvik IM; Kristensen K; Jansik B; Jørgensen P
    J Chem Phys; 2012 Jan; 136(1):014105. PubMed ID: 22239767
    [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. 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]  

  • 8. 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]  

  • 9. A Locality Analysis of the Divide-Expand-Consolidate Coupled Cluster Amplitude Equations.
    Kristensen K; Ziółkowski M; Jansík B; Kjærgaard T; Jørgensen P
    J Chem Theory Comput; 2011 Jun; 7(6):1677-94. PubMed ID: 26596432
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. 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]  

  • 12. Orbital spaces in the divide-expand-consolidate coupled cluster method.
    Ettenhuber P; Baudin P; Kjærgaard T; Jørgensen P; Kristensen K
    J Chem Phys; 2016 Apr; 144(16):164116. PubMed ID: 27131540
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Second-order Møller-Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set.
    Marsman M; Grüneis A; Paier J; Kresse G
    J Chem Phys; 2009 May; 130(18):184103. PubMed ID: 19449904
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Fragment-Based Direct-Local-Ring-Coupled-Cluster Doubles Treatment Embedded in the Periodic Hartree-Fock Solution.
    Masur O; Schütz M; Maschio L; Usvyat D
    J Chem Theory Comput; 2016 Oct; 12(10):5145-5156. PubMed ID: 27556287
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Periodic local Møller-Plesset second order perturbation theory method applied to molecular crystals: study of solid NH3 and CO2 using extended basis sets.
    Maschio L; Usvyat D; Schütz M; Civalleri B
    J Chem Phys; 2010 Apr; 132(13):134706. PubMed ID: 20387953
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Polarization energies in the fragment molecular orbital method.
    Fedorov DG
    J Comput Chem; 2022 Jun; 43(16):1094-1103. PubMed ID: 35446441
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Efficient and accurate treatment of weak pairs in local CCSD(T) calculations.
    Masur O; Usvyat D; Schütz M
    J Chem Phys; 2013 Oct; 139(16):164116. PubMed ID: 24182013
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. 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]  

    [Next]    [New Search]
    of 7.