BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

149 related articles for article (PubMed ID: 19154015)

  • 1. Moving least-squares enhanced Shepard interpolation for the fast marching and string methods.
    Burger SK; Liu Y; Sarkar U; Ayers PW
    J Chem Phys; 2009 Jan; 130(2):024103. PubMed ID: 19154015
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A local interpolation scheme using no derivatives in potential sampling: application to O(1D) + H2 system.
    Ishida T; Schatz GC
    J Comput Chem; 2003 Jul; 24(9):1077-86. PubMed ID: 12759907
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Interpolating moving least-squares methods for fitting potential energy surfaces: computing high-density potential energy surface data from low-density ab initio data points.
    Dawes R; Thompson DL; Guo Y; Wagner AF; Minkoff M
    J Chem Phys; 2007 May; 126(18):184108. PubMed ID: 17508793
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Improving the accuracy of interpolated potential energy surfaces by using an analytical zeroth-order potential function.
    Kawano A; Guo Y; Thompson DL; Wagner AF; Minkoff M
    J Chem Phys; 2004 Apr; 120(14):6414-22. PubMed ID: 15267530
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Quadratic string method for determining the minimum-energy path based on multiobjective optimization.
    Burger SK; Yang W
    J Chem Phys; 2006 Feb; 124(5):054109. PubMed ID: 16468853
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Interpolated potential energy surfaces: How accurate do the second derivatives have to be?
    Crittenden DL; Jordan MJ
    J Chem Phys; 2005 Jan; 122(4):44102. PubMed ID: 15740230
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Efficient sampling for ab initio Monte Carlo simulation of molecular clusters using an interpolated potential energy surface.
    Nakayama A; Seki N; Taketsugu T
    J Chem Phys; 2009 Jan; 130(2):024107. PubMed ID: 19154019
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Interpolating moving least-squares methods for fitting potential energy surfaces: using classical trajectories to explore configuration space.
    Dawes R; Passalacqua A; Wagner AF; Sewell TD; Minkoff M; Thompson DL
    J Chem Phys; 2009 Apr; 130(14):144107. PubMed ID: 19368429
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Locally optimized coordinates in modified Shepard interpolation.
    Evenhuis CR; Collins MA
    J Phys Chem A; 2009 Apr; 113(16):3979-87. PubMed ID: 19284774
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Interpolating moving least-squares methods for fitting potential energy surfaces: Improving efficiency via local approximants.
    Guo Y; Tokmakov I; Thompson DL; Wagner AF; Minkoff M
    J Chem Phys; 2007 Dec; 127(21):214106. PubMed ID: 18067348
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Application of the modified Shepard interpolation method to the determination of the potential energy surface for a molecule-surface reaction: H2 + Pt(111).
    Crespos C; Collins MA; Pijper E; Kroes GJ
    J Chem Phys; 2004 Feb; 120(5):2392-404. PubMed ID: 15268379
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Interpolating moving least-squares methods for fitting potential energy surfaces: applications to classical dynamics calculations.
    Guo Y; Kawano A; Thompson DL; Wagner AF; Minkoff M
    J Chem Phys; 2004 Sep; 121(11):5091-7. PubMed ID: 15352800
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Using Hessian update formulae to construct modified Shepard interpolated potential energy surfaces: application to vibrating surface atoms.
    Frankcombe TJ
    J Chem Phys; 2014 Mar; 140(11):114108. PubMed ID: 24655173
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Optimization methods for finding minimum energy paths.
    Sheppard D; Terrell R; Henkelman G
    J Chem Phys; 2008 Apr; 128(13):134106. PubMed ID: 18397052
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Calculating vibrational spectra using modified Shepard interpolated potential energy surfaces.
    Evenhuis CR; Manthe U
    J Chem Phys; 2008 Jul; 129(2):024104. PubMed ID: 18624513
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Interpolating moving least-squares methods for fitting potential energy surfaces: Analysis of an application to a six-dimensional system.
    Maisuradze GG; Kawano A; Thompson DL; Wagner AF; Minkoff M
    J Chem Phys; 2004 Dec; 121(21):10329-38. PubMed ID: 15549910
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Dual Grid Methods for Finding the Reaction Path on Reduced Potential Energy Surfaces.
    Burger SK; Ayers PW
    J Chem Theory Comput; 2010 May; 6(5):1490-7. PubMed ID: 26615686
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Interpolating moving least-squares methods for fitting potential energy surfaces: a strategy for efficient automatic data point placement in high dimensions.
    Dawes R; Thompson DL; Wagner AF; Minkoff M
    J Chem Phys; 2008 Feb; 128(8):084107. PubMed ID: 18315033
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Interpolating moving least-squares methods for fitting potential-energy surfaces: further improvement of efficiency via cutoff strategies.
    Kawano A; Tokmakov IV; Thompson DL; Wagner AF; Minkoff M
    J Chem Phys; 2006 Feb; 124(5):054105. PubMed ID: 16468849
    [TBL] [Abstract][Full Text] [Related]  

  • 20. A hierarchy of potential energy surfaces constructed from energies and energy derivatives calculated on grids.
    Matito E; Toffoli D; Christiansen O
    J Chem Phys; 2009 Apr; 130(13):134104. PubMed ID: 19355714
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.