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 *

129 related articles for article (PubMed ID: 30468156)

  • 1. High-accuracy large-scale DFT calculations using localized orbitals in complex electronic systems: the case of graphene-metal interfaces.
    Romero-Muñiz C; Nakata A; Pou P; Bowler DR; Miyazaki T; Pérez R
    J Phys Condens Matter; 2018 Dec; 30(50):505901. PubMed ID: 30468156
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J
    J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based
    Ko HY; Jia J; Santra B; Wu X; Car R; DiStasio RA
    J Chem Theory Comput; 2020 Jun; 16(6):3757-3785. PubMed ID: 32045232
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Consistent structures and interactions by density functional theory with small atomic orbital basis sets.
    Grimme S; Brandenburg JG; Bannwarth C; Hansen A
    J Chem Phys; 2015 Aug; 143(5):054107. PubMed ID: 26254642
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Study on the maximum accuracy of the pseudopotential density functional method with localized atomic orbitals versus plane-wave basis sets.
    Gusso M
    J Chem Phys; 2008 Jan; 128(4):044102. PubMed ID: 18247925
    [TBL] [Abstract][Full Text] [Related]  

  • 6. SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory.
    Guo Y; Sivalingam K; Valeev EF; Neese F
    J Chem Phys; 2016 Mar; 144(9):094111. PubMed ID: 26957161
    [TBL] [Abstract][Full Text] [Related]  

  • 7. The ONETEP linear-scaling density functional theory program.
    Prentice JCA; Aarons J; Womack JC; Allen AEA; Andrinopoulos L; Anton L; Bell RA; Bhandari A; Bramley GA; Charlton RJ; Clements RJ; Cole DJ; Constantinescu G; Corsetti F; Dubois SM; Duff KKB; Escartín JM; Greco A; Hill Q; Lee LP; Linscott E; O'Regan DD; Phipps MJS; Ratcliff LE; Serrano ÁR; Tait EW; Teobaldi G; Vitale V; Yeung N; Zuehlsdorff TJ; Dziedzic J; Haynes PD; Hine NDM; Mostofi AA; Payne MC; Skylaris CK
    J Chem Phys; 2020 May; 152(17):174111. PubMed ID: 32384832
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Efficient Calculations with Multisite Local Orbitals in a Large-Scale DFT Code CONQUEST.
    Nakata A; Bowler DR; Miyazaki T
    J Chem Theory Comput; 2014 Nov; 10(11):4813-22. PubMed ID: 26584368
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Embedded correlated wavefunction schemes: theory and applications.
    Libisch F; Huang C; Carter EA
    Acc Chem Res; 2014 Sep; 47(9):2768-75. PubMed ID: 24873211
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Low-rank approximations for accelerating plane-wave hybrid functional calculations in unrestricted and noncollinear spin density functional theory.
    Chen S; Wu K; Hu W; Yang J
    J Chem Phys; 2023 Apr; 158(13):134106. PubMed ID: 37031160
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Modeling bulk and surface Pt using the "Gaussian and plane wave" density functional theory formalism: validation and comparison to k-point plane wave calculations.
    Santarossa G; Vargas A; Iannuzzi M; Pignedoli CA; Passerone D; Baiker A
    J Chem Phys; 2008 Dec; 129(23):234703. PubMed ID: 19102548
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations.
    Ratcliff LE; Dawson W; Fisicaro G; Caliste D; Mohr S; Degomme A; Videau B; Cristiglio V; Stella M; D'Alessandro M; Goedecker S; Nakajima T; Deutsch T; Genovese L
    J Chem Phys; 2020 May; 152(19):194110. PubMed ID: 33687268
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Linear-scaling density functional theory using the projector augmented wave method.
    Hine ND
    J Phys Condens Matter; 2017 Jan; 29(2):024001. PubMed ID: 27841986
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Performance and accuracy of recursive subspace bisection for hybrid DFT calculations in inhomogeneous systems.
    Dawson W; Gygi F
    J Chem Theory Comput; 2015 Oct; 11(10):4655-63. PubMed ID: 26574256
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Ab-initio simulations of materials using VASP: Density-functional theory and beyond.
    Hafner J
    J Comput Chem; 2008 Oct; 29(13):2044-78. PubMed ID: 18623101
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Optimized multi-site local orbitals in the large-scale DFT program CONQUEST.
    Nakata A; Bowler DR; Miyazaki T
    Phys Chem Chem Phys; 2015 Dec; 17(47):31427-33. PubMed ID: 25856306
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Benchmark quantum-chemical calculations on a complete set of rotameric families of the DNA sugar-phosphate backbone and their comparison with modern density functional theory.
    Mládek A; Krepl M; Svozil D; Cech P; Otyepka M; Banáš P; Zgarbová M; Jurečka P; Sponer J
    Phys Chem Chem Phys; 2013 May; 15(19):7295-310. PubMed ID: 23575975
    [TBL] [Abstract][Full Text] [Related]  

  • 18. An efficient hybrid orbital representation for quantum Monte Carlo calculations.
    Luo Y; Esler KP; Kent PRC; Shulenburger L
    J Chem Phys; 2018 Aug; 149(8):084107. PubMed ID: 30193505
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Projector Augmented Wave Method Incorporated into Gauss-Type Atomic Orbital Based Density Functional Theory.
    Xiong XG; Yanai T
    J Chem Theory Comput; 2017 Jul; 13(7):3236-3249. PubMed ID: 28531346
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Occupation matrix control of d- and f-electron localisations using DFT + U.
    Allen JP; Watson GW
    Phys Chem Chem Phys; 2014 Oct; 16(39):21016-31. PubMed ID: 24832683
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.