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 *

233 related articles for article (PubMed ID: 26584369)

  • 1. Practical Schemes for Accurate Forces in Quantum Monte Carlo.
    Moroni S; Saccani S; Filippi C
    J Chem Theory Comput; 2014 Nov; 10(11):4823-9. PubMed ID: 26584369
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Space-warp coordinate transformation for efficient ionic force calculations in quantum Monte Carlo.
    Nakano K; Raghav A; Sorella S
    J Chem Phys; 2022 Jan; 156(3):034101. PubMed ID: 35065566
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Accurate forces in quantum Monte Carlo calculations with nonlocal pseudopotentials.
    Badinski A; Needs RJ
    Phys Rev E Stat Nonlin Soft Matter Phys; 2007 Sep; 76(3 Pt 2):036707. PubMed ID: 17930361
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Performance of quantum Monte Carlo for calculating molecular bond lengths.
    Cleland DM; Per MC
    J Chem Phys; 2016 Mar; 144(12):124108. PubMed ID: 27036428
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Quantum Monte Carlo study of first-row atoms using transcorrelated variational Monte Carlo trial functions.
    Prasad R; Umezawa N; Domin D; Salomon-Ferrer R; Lester WA
    J Chem Phys; 2007 Apr; 126(16):164109. PubMed ID: 17477591
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Molecular hydrogen adsorbed on benzene: Insights from a quantum Monte Carlo study.
    Beaudet TD; Casula M; Kim J; Sorella S; Martin RM
    J Chem Phys; 2008 Oct; 129(16):164711. PubMed ID: 19045302
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Machine Learning Diffusion Monte Carlo Forces.
    Huang C; Rubenstein BM
    J Phys Chem A; 2023 Jan; 127(1):339-355. PubMed ID: 36576803
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Chemical accuracy from quantum Monte Carlo for the benzene dimer.
    Azadi S; Cohen RE
    J Chem Phys; 2015 Sep; 143(10):104301. PubMed ID: 26374029
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Bond dissocation and conformational energetics of tetrasulfur: a quantum Monte Carlo study.
    Harkless JA; Francisco JS
    J Phys Chem A; 2008 Mar; 112(10):2088-92. PubMed ID: 18217731
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Towards the ground state of molecules via diffusion Monte Carlo on neural networks.
    Ren W; Fu W; Wu X; Chen J
    Nat Commun; 2023 Apr; 14(1):1860. PubMed ID: 37012248
    [TBL] [Abstract][Full Text] [Related]  

  • 11. X marks the spot: Accurate energies from intersecting extrapolations of continuum quantum Monte Carlo data.
    Hosseini SM; Alavi A; López Ríos P
    J Chem Phys; 2024 May; 160(19):. PubMed ID: 38747435
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Assessing the accuracy of quantum Monte Carlo and density functional theory for energetics of small water clusters.
    Gillan MJ; Manby FR; Towler MD; Alfè D
    J Chem Phys; 2012 Jun; 136(24):244105. PubMed ID: 22755563
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Inhomogeneous backflow transformations in quantum Monte Carlo calculations.
    López Ríos P; Ma A; Drummond ND; Towler MD; Needs RJ
    Phys Rev E Stat Nonlin Soft Matter Phys; 2006 Dec; 74(6 Pt 2):066701. PubMed ID: 17280171
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Dissociation energy of the water dimer from quantum Monte Carlo calculations.
    Gurtubay IG; Needs RJ
    J Chem Phys; 2007 Sep; 127(12):124306. PubMed ID: 17902902
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Non-orthogonal determinants in multi-Slater-Jastrow trial wave functions for fixed-node diffusion Monte Carlo.
    Pathak S; Wagner LK
    J Chem Phys; 2018 Dec; 149(23):234104. PubMed ID: 30579315
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Quantum Monte Carlo study of the Ne atom and the Ne+ ion.
    Drummond ND; López Ríos P; Ma A; Trail JR; Spink GG; Towler MD; Needs RJ
    J Chem Phys; 2006 Jun; 124(22):224104. PubMed ID: 16784260
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias.
    Zen A; Brandenburg JG; Michaelides A; Alfè D
    J Chem Phys; 2019 Oct; 151(13):134105. PubMed ID: 31594339
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Quantum Monte Carlo with density matrix: potential energy curve derived properties.
    Bonfim VS; Borges NM; Martins JB; Gargano R; Politi JR
    J Mol Model; 2017 Apr; 23(4):104. PubMed ID: 28271286
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Communication: Calculation of interatomic forces and optimization of molecular geometry with auxiliary-field quantum Monte Carlo.
    Motta M; Zhang S
    J Chem Phys; 2018 May; 148(18):181101. PubMed ID: 29764141
    [TBL] [Abstract][Full Text] [Related]  

  • 20. All-electron quantum Monte Carlo calculations for the noble gas atoms He to Xe.
    Ma A; Drummond ND; Towler MD; Needs RJ
    Phys Rev E Stat Nonlin Soft Matter Phys; 2005 Jun; 71(6 Pt 2):066704. PubMed ID: 16089908
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.