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There are 24702 results for: content related to: Pairwise verlet lists: Combining cell lists and verlet lists to improve memory locality and parallelism

  1. A comparison of data structures for the simulation of polydisperse particle packings

    International Journal for Numerical Methods in Engineering

    Volume 85, Issue 5, 4 February 2011, Pages: 625–639, S. Raschdorf and M. Kolonko

    Article first published online : 4 AUG 2010, DOI: 10.1002/nme.2988

  2. Consideration of data load time on modern processors for the Verlet table and linked-cell algorithms

    Journal of Computational Chemistry

    Volume 32, Issue 7, May 2011, Pages: 1386–1399, Eduard S. Fomin

    Article first published online : 1 FEB 2011, DOI: 10.1002/jcc.21722

  3. Midpoint cell method for hybrid (MPI+OpenMP) parallelization of molecular dynamics simulations

    Journal of Computational Chemistry

    Volume 35, Issue 14, 30 May 2014, Pages: 1064–1072, Jaewoon Jung, Takaharu Mori and Yuji Sugita

    Article first published online : 23 MAR 2014, DOI: 10.1002/jcc.23591

  4. A comparison between parallelization approaches in molecular dynamics simulations on GPUs

    Journal of Computational Chemistry

    Volume 36, Issue 1, January 5, 2015, Pages: 1–8, Lorenzo Rovigatti, Petr Šulc, István Z. Reguly and Flavio Romano

    Article first published online : 30 OCT 2014, DOI: 10.1002/jcc.23763

  5. Coarse-Grained and Atomistic MD Simulations of RNA and DNA Folding

    Israel Journal of Chemistry

    Volume 54, Issue 8-9, August 2014, Pages: 1152–1164, Jessica D. Leuchter, Adam T. Green, Julian Gilyard, Cecilia G. Rambarat and Samuel S. Cho

    Article first published online : 13 MAY 2014, DOI: 10.1002/ijch.201400022

  6. Neighbour lists in smoothed particle hydrodynamics

    International Journal for Numerical Methods in Fluids

    Volume 67, Issue 12, 30 December 2011, Pages: 2026–2042, J. M. Domínguez, A. J. C. Crespo, M. Gómez-Gesteira and J. C. Marongiu

    Article first published online : 29 NOV 2010, DOI: 10.1002/fld.2481

  7. Molecular Dynamics with General Holonomic Constraints and Application to Internal Coordinate Constraints

    Reviews in Computational Chemistry, Volume 12

    Ramzi Kutteh, T. P. Straatsma, Pages: 75–136, 2007

    Published Online : 5 JAN 2007, DOI: 10.1002/9780470125892.ch2

  8. Practical modeling of molecular systems with symmetries

    Journal of Computational Chemistry

    Volume 31, Issue 9, 15 July 2010, Pages: 1799–1814, Sergei Grudinin and Stephane Redon

    Article first published online : 10 MAR 2010, DOI: 10.1002/jcc.21434

  9. Defining and optimizing algorithms for neighbouring particle identification in SPH fluid simulations

    International Journal for Numerical Methods in Fluids

    Volume 58, Issue 6, 30 October 2008, Pages: 625–638, G. Viccione, V. Bovolin and E. Pugliese Carratelli

    Article first published online : 17 MAR 2008, DOI: 10.1002/fld.1761

  10. Inherent speedup limitations in multiple time step/particle mesh Ewald algorithms

    Journal of Computational Chemistry

    Volume 24, Issue 1, 15 January 2003, Pages: 77–88, Danny Barash, Linjing Yang, Xiaoliang Qian and Tamar Schlick

    Article first published online : 6 DEC 2002, DOI: 10.1002/jcc.10196

  11. MesoBioNano explorer—A universal program for multiscale computer simulations of complex molecular structure and dynamics

    Journal of Computational Chemistry

    Volume 33, Issue 30, 15 November 2012, Pages: 2412–2439, Ilia A. Solov'yov, Alexander V. Yakubovich, Pavel V. Nikolaev, Ilya Volkovets and Andrey V. Solov'yov

    Article first published online : 11 SEP 2012, DOI: 10.1002/jcc.23086

  12. Sop-GPU: Accelerating biomolecular simulations in the centisecond timescale using graphics processors

    Proteins: Structure, Function, and Bioinformatics

    Volume 78, Issue 14, 1 November 2010, Pages: 2984–2999, A. Zhmurov, R. I. Dima, Y. Kholodov and V. Barsegov

    Article first published online : 23 JUL 2010, DOI: 10.1002/prot.22824

  13. Structural, dynamic, and electrostatic properties of fully hydrated DMPC bilayers from molecular dynamics simulations accelerated with graphical processing units (GPUs)

    Journal of Computational Chemistry

    Volume 32, Issue 14, 15 November 2011, Pages: 2958–2973, Narayan Ganesan, Brad A. Bauer, Timothy R. Lucas, Sandeep Patel and Michela Taufer

    Article first published online : 26 JUL 2011, DOI: 10.1002/jcc.21871

  14. You have free access to this content
    Symplectic Time-Stepping for Particle Methods


    Volume 27, Issue 1, December 2004, Pages: 9–24, Matthew Dixon and Sebastian Reich

    Article first published online : 8 MAY 2014, DOI: 10.1002/gamm.201490005

  15. CHARMM: The biomolecular simulation program

    Journal of Computational Chemistry

    Volume 30, Issue 10, 30 July 2009, Pages: 1545–1614, B. R. Brooks, C. L. Brooks III, A. D. Mackerell Jr., L. Nilsson, R. J. Petrella, B. Roux, Y. Won, G. Archontis, C. Bartels, S. Boresch, A. Caflisch, L. Caves, Q. Cui, A. R. Dinner, M. Feig, S. Fischer, J. Gao, M. Hodoscek, W. Im, K. Kuczera, T. Lazaridis, J. Ma, V. Ovchinnikov, E. Paci, R. W. Pastor, C. B. Post, J. Z. Pu, M. Schaefer, B. Tidor, R. M. Venable, H. L. Woodcock, X. Wu, W. Yang, D. M. York and M. Karplus

    Article first published online : 14 MAY 2009, DOI: 10.1002/jcc.21287

  16. Discrete Lagrangian mechanics for nonseparable nonsmooth systems

    International Journal for Numerical Methods in Engineering

    Volume 105, Issue 6, 10 February 2016, Pages: 440–463, David Pekarek and Todd D. Murphey

    Article first published online : 7 SEP 2015, DOI: 10.1002/nme.4980

  17. Das Bundestagswahlrecht aus Perspektive der Social Choice-Theorie

    Perspektiven der Wirtschaftspolitik

    Volume 12, Issue 3, August 2011, Pages: 242–257, Tobias Lindner

    Article first published online : 26 SEP 2011, DOI: 10.1111/j.1468-2516.2011.00364.x

  18. Numerical Integration of Ordinary Differential Equations

    Understanding the Discrete Element Method: Simulation of Non-Spherical Particles for Granular and Multi-Body Systems

    Hans-Georg Matuttis, Jian Chen, Pages: 65–128, 2014

    Published Online : 16 MAY 2014, DOI: 10.1002/9781118567210.ch2

  19. Implementation of extended Lagrangian dynamics in GROMACS for polarizable simulations using the classical Drude oscillator model

    Journal of Computational Chemistry

    Volume 36, Issue 19, July 15, 2015, Pages: 1473–1479, Justin A. Lemkul, Benoît Roux, David van der Spoel and Alexander D. MacKerell Jr.

    Article first published online : 12 MAY 2015, DOI: 10.1002/jcc.23937

  20. OOPSE: An object-oriented parallel simulation engine for molecular dynamics

    Journal of Computational Chemistry

    Volume 26, Issue 3, February 2005, Pages: 252–271, Matthew A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher J. Fennell and J. Daniel Gezelter

    Article first published online : 21 DEC 2004, DOI: 10.1002/jcc.20161