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Tag ewald [15 articles]

Recent papers classified by the tag ewald.
  • A hierarchical O(N log N) force-calculation algorithm
    Nature, Vol. 324, No. 6096. (4 December 1986), pp. 446-449.
    by Josh Barnes, Piet Hut
  • Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study
    Biophysical Chemistry, Vol. 78, No. 1-2. (5 April 1999), pp. 69-88.
    posted to electrostatics ewald implicit_solvent md by RamuAnandakrishnan on 2007-12-03 21:02:33 as **
  • Evolutionary systems biology: links between gene evolution and function
    Current Opinion in Biotechnology, Vol. 17, No. 5. (October 2006), pp. 481-487.
    by Eugene V Koonin, Yuri Wolf
    posted to ewald genome by RamuAnandakrishnan on 2008-04-28 17:41:20 as ** along with 1 person tny
  • Comments on PPPM, FMM, and the Ewald Method for Large Periodic Coulombic Systems
    (29 Nov 1995)
    by EL Pollock, Jim Glosli
    posted to electrostatics ewald multipole by RamuAnandakrishnan on 2008-02-23 17:21:25 as **
  • Ewald summation techniques in perspective: a survey
    Computer Physics Communications, Vol. 95, No. 2-3. (June 1996), pp. 73-92.
    by Abdulnour Y Toukmaji, John A Board
    posted to electrostatics ewald by RamuAnandakrishnan on 2008-03-28 14:57:44 as ** along with 1 person softsimu
  • Molecular Dynamics Simulations of a Polyalanine Octapeptide under Ewald Boundary Conditions: Influence of Artificial Periodicity on Peptide Conformation
    J. Phys. Chem. B, Vol. 104, No. 15. (20 April 2000), pp. 3668-3675.
    posted to ewald protein_electrostatics by onufriev on 2007-10-22 22:46:06 as ***
  • Taming the Ewald sum in molecular dynamics simulations of solvated proteins via a multiple time step algorithm
    The Journal of Chemical Physics, Vol. 104, No. 8. (1996), pp. 3003-3012.
    by Piero Procacci, Massimo Marchi
    posted to ewald respa by nnny on 2008-07-06 18:20:59 as **
  • Electrostatic calculations and multiple time scales in molecular dynamics simulation of flexible molecular systems
    The Journal of Chemical Physics, Vol. 108, No. 21. (1998), pp. 8799-8803.
    by Piero Procacci, Massimo Marchi, Glenn J Martyna
    posted to ewald respa by nnny on 2008-07-06 18:21:48 as **
  • An efficient parallel implementation of the smooth particle mesh Ewald method for molecular dynamics simulations
    Computer Physics Communications, Vol. 177, No. 5. (1 September 2007), pp. 426-431.
    by Kwang J Oh, Yuefan Deng
    posted to algorithm dynamics ewald md mesh molecular parallel smooth by michaelbussmann on 2008-08-04 14:46:31 as **
  • Fast electrostatic force calculation on parallel computer clusters
    Journal of Computational Physics, Vol. In Press, Corrected Proof
    by Amirali Kia, Daejoong Kim, Eric Darve
  • Local electrostatics algorithm for classical molecular dynamics simulations
    The Journal of Chemical Physics, Vol. 127, No. 13. (2007)
    by Jörg Rottler
  • Comments on P3M, FMM, and the Ewald method for large periodic Coulombic systems
    Computer Physics Communications, Vol. 95, No. 2-3. (June 1996), pp. 93-110.
    by EL Pollock, Jim Glosli
    posted to algorithm coulomb ewald fmm large mesh multipole p3m periodic system by michaelbussmann on 2008-08-04 14:48:18 as **
  • Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics
    The Journal of Chemical Physics, Vol. 124, No. 23. (2006)
    by Christopher J Fennell, Daniel J Gezelter
  • notes Ewald summation versus direct summation of shifted-force potentials for the calculation of electrostatic interactions in solids: A quantitative study
    Journal of Computational Chemistry, Vol. 18, No. 5. (1997), pp. 660-676.
    posted to electrostatics ewald methods by dcheong on 2007-05-07 03:35:33 as **
  • A smooth particle mesh Ewald method
    The Journal of Chemical Physics, Vol. 103, No. 19. (1995), pp. 8577-8593.
    by Ulrich Essmann, Lalith Perera, Max L Berkowitz, Tom Darden, Hsing Lee, Lee G Pedersen
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