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]