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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
    posted to ewald technical by shuns on 2005-12-06 03:36:55 as read along with 5 people ansobol jrw gane5h OndrejMarsalek michaelbussmann
  • 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.
    by PH Hunenberger, JA Mccammon
    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.
    by W Weber, PH Hunenberger, JA Mccammon
    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
    posted to algorithm approximation electrostatic ewald fast fmm force mesh multipole parallel particle pwa smooth spme wave by michaelbussmann on 2008-08-04 14:54:17 as **
  • Local electrostatics algorithm for classical molecular dynamics simulations
    The Journal of Chemical Physics, Vol. 127, No. 13. (2007)
    by Jörg Rottler
    posted to algorithm dynamics electric ewald field grid molecular simulation by michaelbussmann on 2008-02-28 17:07:15 as ** along with 5 people and 1 group sobolevnrm afenley softsimu mikaellund OndrejMarsalek baker-group
  • 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
    posted to algorithm binary cutoff dynamics ewald grid molecular pairwise summation by michaelbussmann on 2008-02-28 16:43:01 as ** along with 3 people and 1 group mikaellund OndrejMarsalek sobolevnrm baker-group
  • 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.
    by H Dufner, SM Kast, J Brickmann, M Schlenkrich
    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
    posted to ewald particle_mesh_ewald by 6rheology on 2008-08-05 03:01:49 as ** along with 7 people lillekatt and_ped10 easybakemuffin RamuAnandakrishnan ashaytan mikaellund jteyra
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