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OndrejMarsalek's md [19 articles]

Recent papers added to OndrejMarsalek's library classified by the tag md. You can also see everyone's md.
  • notes Canonical dynamics: Equilibrium phase-space distributions
    Physical Review A, Vol. 31, No. 3. (March 1985), 1695.
    by William G Hoover
    posted to algorithms masters md by OndrejMarsalek on 2008-04-02 10:22:24 as **** along with 1 person and_ped10
  • notes A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters
    The Journal of Chemical Physics, Vol. 76, No. 1. (1982), pp. 637-649.
    by William C Swope, Hans C Andersen, Peter H Berens, Kent R Wilson
    posted to algorithms masters md numerics by OndrejMarsalek on 2008-03-30 19:31:14 as **
  • Reversible multiple time scale molecular dynamics
    J. Chem. Phys., Vol. 97 (August 1992), pp. 1990-2001.
    by M Tuckerman, BJ Berne, GJ Martyna
    posted to algorithms masters md numerics by OndrejMarsalek on 2008-03-28 12:02:56 as read
  • Introduction to computer simulations: Monte-Carlo and molecular dynamics methods (in Czech)
    (2003)
    by I Nezbeda, J Kolafa, M Kotrla
    posted to book masters mc md by OndrejMarsalek on 2008-03-20 22:17:34 as read
  • Computer Simulation of Liquids
    (29 June 1989)
    by MP Allen, DJ Tildesley
    posted to book masters md by OndrejMarsalek on 2008-03-16 23:04:45 as *** along with 3 people kkims agupta0318 mikaellund
  • Understanding Molecular Simulation (Computational Science Series, Vol 1)
    (15 October 2001)
    by Daan Frenkel, B Smit
    posted to book masters md by OndrejMarsalek on 2008-03-16 23:03:20 as *** along with 3 people kkims ptupper mikaellund
  • Harvesting graphics power for MD simulations
    (20 Sep 2007)
    by JA van Meel, A Arnold, D Frenkel, Portegies SF Zwart, RG Belleman
    posted to cuda md software by OndrejMarsalek on 2008-03-01 17:40:55 as ****
  • Accelerating molecular modeling applications with graphics processors.
    J Comput Chem (25 September 2007)
    by John E E Stone, James C C Phillips, Peter L L Freddolino, David J J Hardy, Leonardo G G Trabuco, Klaus Schulten
    posted to cuda electrostatics md software by OndrejMarsalek on 2008-03-01 17:38:55 as **** along with 7 people and 1 group npt11tpn afenley BragilMassoud ruvido sobolevnrm yalexeev mikaellund baker-group
  • Molecular Dynamics Simulations on Commodity GPUs with CUDA
    High Performance Computing – HiPC 2007 (2007), pp. 185-196.
    by Weiguo Liu, Bertil Schmidt, Gerrit Voss, Wolfgang Müller-Wittig
    posted to cuda md software by OndrejMarsalek on 2008-03-01 17:35:33 as **** along with 1 person stumbled
  • General Purpose Molecular Dynamics Simulations Fully Implemented on Graphics Processing Units
    Journal of Computational Physics, Vol. In Press, Accepted Manuscript
    by Joshua A Anderson, Chris D Lorenz, A Travesset
    posted to cuda md software by OndrejMarsalek on 2008-03-01 17:34:33 as ****
  • notes Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules
    Physical Review, Vol. 159, No. 1. (5 July 1967), 98.
    by Loup Verlet
    posted to algorithms masters md numerics by OndrejMarsalek on 2008-02-28 15:49:30 as read along with 1 person and_ped10
  • notes Some Multistep Methods for Use in Molecular Dynamics Calculations
    Journal of Computational Physics, Vol. 20 (February 1976), 130.
    by D Beeman
    posted to algorithms masters md numerics by OndrejMarsalek on 2008-02-28 15:48:02 as **
  • Molecular dynamics simulations at constant pressure and/or temperature
    The Journal of Chemical Physics, Vol. 72, No. 4. (1980), pp. 2384-2393.
    by Hans C Andersen
    posted to algorithms masters md by OndrejMarsalek on 2008-02-15 22:42:30 as read along with 2 people 6rheology and_ped10
  • Local electrostatics algorithm for classical molecular dynamics simulations
    The Journal of Chemical Physics, Vol. 127, No. 13. (2007)
    by Jörg Rottler
    posted to algorithms electrostatics md by OndrejMarsalek on 2008-02-06 10:13:26 as **** along with 5 people and 1 group sobolevnrm afenley softsimu mikaellund michaelbussmann baker-group
  • Averaged Configurations from Molecular Dynamics Simulations
    Applied Parallel Computing. State of the Art in Scientific Computing (2007), pp. 51-58.
    by K Gillis, J Vatamanu, M Razul, Peter Kusalik
    posted to algorithms md by OndrejMarsalek on 2008-02-05 11:20:08 as ** along with 1 person michaelbussmann
  • GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
    J. Chem. Theory Comput. (2 February 2008)
    by B Hess, C Kutzner, D Vanderspoel, E Lindahl
    posted to algorithms gromacs masters md software by OndrejMarsalek on 2008-02-04 22:16:35 as read along with 6 people and 1 group loison daevans mmuecke sobolevnrm r2s2 middledomain baker-group
  • P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation
    J. Chem. Theory Comput., Vol. 4, No. 1. (8 January 2008), pp. 116-122.
    by B Hess
    posted to algorithms gromacs md by OndrejMarsalek on 2008-02-04 22:16:01 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 algorithms electrostatics md by OndrejMarsalek on 2008-02-04 22:15:06 as *** along with 3 people and 1 group sobolevnrm mikaellund michaelbussmann baker-group
  • Canonical sampling through velocity rescaling
    The Journal of Chemical Physics, Vol. 126, No. 1. (2007)
    by Giovanni Bussi, Davide Donadio, Michele Parrinello
    posted to algorithms md by OndrejMarsalek on 2008-02-04 22:14:21 as *** along with 2 people daevans michaelbussmann
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