{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,3,27]],"date-time":"2025-03-27T10:14:39Z","timestamp":1743070479826,"version":"3.40.3"},"publisher-location":"Berlin, Heidelberg","reference-count":36,"publisher":"Springer Berlin Heidelberg","isbn-type":[{"type":"print","value":"9783540632429"},{"type":"electronic","value":"9783642583605"}],"license":[{"start":{"date-parts":[[1999,1,1]],"date-time":"1999-01-01T00:00:00Z","timestamp":915148800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[1999,1,1]],"date-time":"1999-01-01T00:00:00Z","timestamp":915148800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[1999]]},"DOI":"10.1007\/978-3-642-58360-5_29","type":"book-chapter","created":{"date-parts":[[2011,7,22]],"date-time":"2011-07-22T13:25:05Z","timestamp":1311341105000},"page":"483-494","source":"Crossref","is-referenced-by-count":0,"title":["Parallel Molecular Dynamics Using Force Decomposition"],"prefix":"10.1007","author":[{"given":"Daniel","family":"Okunbor","sequence":"first","affiliation":[]},{"given":"Ravi","family":"Murty","sequence":"additional","affiliation":[]}],"member":"297","reference":[{"key":"29_CR1","doi-asserted-by":"publisher","first-page":"1439","DOI":"10.1063\/1.1731425","volume":"33","author":"BJ Alder","year":"1960","unstructured":"B. J. Alder and T. E. Wainright, \u201cStudies in molecular dynamics II: Behavior of a small number of elastic spheres \u201d, J. Chern. Phys., vol 33, 1439\u20131447, 1960.","journal-title":"J. Chern. Phys"},{"key":"29_CR2","unstructured":"M. P. Allen and D. J. Tildesley, Computer Simulation Of Liquids, Oxford science publication 1987."},{"key":"29_CR3","doi-asserted-by":"publisher","first-page":"446","DOI":"10.1038\/324446a0","volume":"324","author":"J Barnes","year":"1986","unstructured":"J. Barnes and P. Hut, \u201cA hierarchical O(N log N) force calculation algorithm \u201d, Nature, Vol 324, 446\u201349, 1986.","journal-title":"Nature"},{"key":"29_CR4","doi-asserted-by":"publisher","first-page":"67","DOI":"10.1016\/0010-4655(93)90107-N","volume":"74","author":"D Brown","year":"1993","unstructured":"D. Brown, J. H. R. Clarke, M. Okuda and T. Yamazaki, \u201cA domain decomposition strategy for molecular dynamics simulations on distributed memory machines \u201d, Comp. Phys. Comm., Vol 74, 67\u201380, 1993.","journal-title":"Comp. Phys. Comm"},{"key":"29_CR5","unstructured":"T. W. Clark, J. A. McCammon, L. R. Scott, \u201cParallel molecular dynamics \u201d, Proc. of the fifth SIAM conference on Parallel Processing for Scientific Computing, 338\u201344, 1992."},{"key":"29_CR6","doi-asserted-by":"publisher","first-page":"5","DOI":"10.1109\/2.44900","volume":"23","author":"R Duncan","year":"1990","unstructured":"R. Duncan, \u201cA survey of parallel computer architectures \u201d, Computer, Vol 23, no 2, 5\u201316, 1990.","journal-title":"Computer"},{"issue":"2&3","key":"29_CR7","doi-asserted-by":"publisher","first-page":"263","DOI":"10.1016\/0010-4655(86)90113-X","volume":"40","author":"D Fincham","year":"1986","unstructured":"D. Fincham, \u201cChoice of timestep in molecular dynamics simulation \u201d, Comp. Phys. Comm., Vol 40, no 2&3, 263\u20139, 1986.","journal-title":"Comp. Phys. Comm"},{"key":"29_CR8","doi-asserted-by":"publisher","first-page":"127","DOI":"10.1016\/0010-4655(81)90027-8","volume":"23","author":"D Fincham","year":"1981","unstructured":"D. Fincham and B. J. Ralston, \u201cMolecular dynamics simulation using the Cray-1 vector processing computer \u201d, Comp. Phys. Comm., Vol 23, no 2, 127\u201334, 1981.","journal-title":"Comp. Phys. Comm"},{"key":"29_CR9","volume-title":"Solving Problems On Concurrent Processors","author":"GC Fox","year":"1988","unstructured":"G. C. Fox, M. A. Johnson, G. A. Lyzenga, S. W. Otto, J. K. Salmon and D. W. Walker, Solving Problems On Concurrent Processors: Volume 1, Prentice Hall, Englewood Cliffs, 1988."},{"issue":"5","key":"29_CR10","doi-asserted-by":"publisher","first-page":"4062","DOI":"10.1063\/1.467523","volume":"101","author":"SK Gray","year":"1994","unstructured":"S. K. Gray, D. W. Noid and B. G. Sumpter, \u201cSymplectic integrators for large scale molecular dynamics simulations: A comparison of several explicit methods \u201d, J. Chem. Phys., Vol 101, no 5, 4062\u201372, 1994.","journal-title":"J. Chem. Phys"},{"key":"29_CR11","doi-asserted-by":"publisher","first-page":"325","DOI":"10.1016\/0021-9991(87)90140-9","volume":"73","author":"L Greengard","year":"1987","unstructured":"L. Greengard and V. Rokhlin, \u201cA fast algorithm for particle simulations \u201d, J. Comput. Phys., Vol 73, no 2, 325\u201348, 1987.","journal-title":"J. Comput. Phys"},{"key":"29_CR12","doi-asserted-by":"publisher","first-page":"321","DOI":"10.1142\/S0129053389000172","volume":"1","author":"DL Greenwell","year":"1989","unstructured":"D. L. Greenwell, R. K. Kalia, J. C. Patterson and P. Vashishta, \u201cMolecular dynamics algorithm on the connection machine \u201d, Int. J. High Speed Computing, Vol 1, no 2, 321\u20138, 1989.","journal-title":"Int. J. High Speed Computing"},{"key":"29_CR13","unstructured":"W. Gropp, E. Lusk and A. Skjellum, Using MPI Portable Parallel Programming with Message-Passing Interface, Scientific and Engineering Computation series, 1994."},{"key":"29_CR14","doi-asserted-by":"publisher","first-page":"243","DOI":"10.1016\/0010-4655(92)90191-Z","volume":"70","author":"S Gupta","year":"1992","unstructured":"S. Gupta, \u201cComputing aspects of molecular dynamics simulation \u201d, Comp. Phys. Comm., Vol 70, no 2, 243\u201370, 1992.","journal-title":"Comp. Phys. Comm"},{"key":"29_CR15","unstructured":"J. M. Haile, Molecular Dynamics Simulation, Elementary methods, John Wiley and sons, 1992."},{"key":"29_CR16","doi-asserted-by":"crossref","unstructured":"P. A. J Hilbers and K. Esselink, \u201cParallel computing and molecular dynamics simulations \u201d, Computer Simulations in Chemical Physics, Proc. of the NATO advanced study institute on new perspectives in computer simulations in chemical physics, 473\u201395, 1993.","DOI":"10.1007\/978-94-011-1679-4_13"},{"key":"29_CR17","doi-asserted-by":"publisher","first-page":"18","DOI":"10.1887\/0852743920","volume-title":"Computer Simulations Using Particles","author":"RW Hockney","year":"1988","unstructured":"R. W. Hockney and J. W. Eastwood, Computer Simulations Using Particles, Institute of Physics Publishing, Bristol, 1988..au]18._Y. Hwang, R. Das, F. H. Saltz, M. Hado\u017e\u010dek and B. R. Brooks, \u201cParallelizing molecular dynamics programs for distributed-memory machines \u201d, IEEE Computational Science and Engineering, Vol 2, no 2, 18\u201329, 1995."},{"key":"29_CR18","doi-asserted-by":"publisher","first-page":"321","DOI":"10.1021\/ci00024a022","volume":"35","author":"D Jane\u017ei\u010d","year":"1995","unstructured":"D. Jane\u017ei\u010d and F. Merzel, \u201cAn efficient symplectic integration algorithm for molecular dynamics simulations \u201d, J. Chem. Info. Comp. Sci., Vol 35, no 2, 321\u20136, 1995.","journal-title":"J. Chem. Info. Comp. Sci"},{"issue":"3","key":"29_CR19","doi-asserted-by":"publisher","first-page":"641","DOI":"10.1021\/ci00019a025","volume":"34","author":"D Jane\u017ei\u010d","year":"1994","unstructured":"D. Jane\u017ei\u010d and R. Trobec, \u201cParallelization of an implicit Runge-Kutta method for molecular dynamics integration \u201d, J. Chem. Info. Comp. Sci., Vol 34, no 3, 641\u20136, 1994.","journal-title":"J. Chem. Info. Comp. Sci"},{"key":"29_CR20","doi-asserted-by":"crossref","unstructured":"T.G. Mattson and G. R. Shanker, \u201cPortable molecular dynamics software for parallel computing \u201d, ACS Symposium Series 592, 133\u201350.","DOI":"10.1021\/bk-1995-0592.ch010"},{"key":"29_CR21","unstructured":"R. Murty and D. Okunbor, \u201cEfficient parallel algorithms for molecular dynamics simulations \u201d, submitted to Parallel Computing."},{"issue":"2","key":"29_CR22","doi-asserted-by":"publisher","first-page":"236","DOI":"10.1002\/jcc.540110209","volume":"11","author":"DW Noid","year":"1990","unstructured":"D. W. Noid, B. G. Sumpter, B. Wunderlich and G. A. Pfeffer, \u201cMolecular dynamics simulations of polymers: Methods for optimal Fortran programming \u201d, J. Comput. Chem., 11(2), 236\u2013241, 1990.","journal-title":"J. Comput. Chem"},{"key":"29_CR23","unstructured":"D. Okunbor, \u201cIntegration methods for iV-body problems \u201d, Proc. of the second International Conference On Dynamic Systems, 1996."},{"issue":"3&4","key":"29_CR24","doi-asserted-by":"publisher","first-page":"337","DOI":"10.1007\/BF02900852","volume":"11","author":"D Okunbor","year":"1996","unstructured":"D. Okunbor, \u201cParallel molecular dynamics on connection machines \u201d, Wuhan J. Natural Sci., Vol 11, no 3&4, 337\u201343, 1996.","journal-title":"Wuhan J. Natural Sci"},{"key":"29_CR25","doi-asserted-by":"publisher","first-page":"314","DOI":"10.1016\/0167-2789(92)90248-L","volume":"60","author":"D Okunbor","year":"1992","unstructured":"D. Okunbor, \u201cCanonical methods for Hamiltonian systems: Numerical experiments \u201d, Physica D, 60, 314\u2013322, 1992.","journal-title":"Physica D"},{"issue":"1","key":"29_CR26","doi-asserted-by":"publisher","first-page":"72","DOI":"10.1002\/jcc.540150109","volume":"15","author":"D Okunbor","year":"1994","unstructured":"D. Okunbor and R. Skeel, \u201cCanonical numerical methods for molecular dynamics simulations \u201d, J. Comput. Chem., 15(1), 72\u201379, 1994.","journal-title":"J. Comput. Chem"},{"key":"29_CR27","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1006\/jcph.1995.1039","volume":"117","author":"S Plimpton","year":"1995","unstructured":"S. Plimpton, \u201cFast parallel algorithms for short-range molecular dynamics \u201d, J. Comput. Phys., Vol 117, no 1, 1\u201319, 1995.","journal-title":"J. Comput. Phys"},{"issue":"3","key":"29_CR28","doi-asserted-by":"publisher","first-page":"326","DOI":"10.1002\/(SICI)1096-987X(199602)17:3<326::AID-JCC7>3.0.CO;2-X","volume":"17","author":"S Plimpton","year":"1996","unstructured":"S. Plimpton and B. Hendrickson, \u201cA new parallel method for molecular dynamics simulation of macromolecular systems \u201d, J. Comput. Chem., Vol 17, no 3, 326\u201337, 1996.","journal-title":"J. Comput. Chem"},{"issue":"5","key":"29_CR29","doi-asserted-by":"publisher","first-page":"557","DOI":"10.1016\/0167-8191(92)90091-K","volume":"18","author":"H Schreiber","year":"1992","unstructured":"H. Schreiber, O. Steinhauser and P. Schuster, \u201cParallel molecular dynamics of biomolecules \u201d, Parallel Computing, Vol 18, no 5, 557\u201373, 1992.","journal-title":"Parallel Computing"},{"key":"29_CR30","unstructured":"R. D. Skeel and J. J. Biesiadecki, \u201cSymplectic integrations with variable stepsize \u201d, Annals Numer. Math., 191\u2013198, 1994."},{"issue":"3","key":"29_CR31","doi-asserted-by":"publisher","first-page":"392","DOI":"10.1016\/0010-4655(92)90048-4","volume":"62","author":"W Smith","year":"1992","unstructured":"W. Smith, \u201cA replicated data molecular dynamics strategy for the parallel Ewald sum \u201d, Comp. Phys. Comm., Vol 62, no 3, 392\u2013406, 1992.","journal-title":"Comp. Phys. Comm"},{"issue":"2&3","key":"29_CR32","doi-asserted-by":"publisher","first-page":"229","DOI":"10.1016\/0010-4655(91)90097-5","volume":"62","author":"W Smith","year":"1991","unstructured":"W. Smith, \u201cMolecular dynamics on hypercube parallel computers \u201d, Comp. Phys. Comm., Vol 62, no 2&3, 229\u201348, 1991.","journal-title":"Comp. Phys. Comm"},{"key":"29_CR33","doi-asserted-by":"publisher","first-page":"52","DOI":"10.1016\/0010-4655(94)90229-1","volume":"79","author":"W Smith","year":"1994","unstructured":"W. Smith and T. R. Forester, \u201cParallel macromolecular simulations and the replicated data strategy \u201d, Comp. Phys. Comm., Vol 79, no 1, 52\u201362, 1994.","journal-title":"Comp. Phys. Comm"},{"key":"29_CR34","doi-asserted-by":"crossref","unstructured":"V. E. Taylor, R. L. Stevens and K. E. Arnold, \u201cParallel molecular dynamics: Communication requirements for massively parallel machines \u201d, Proc. Frontiers\u2019 95, the fifth symposium on the frontiers of Massively Parallel Computation, 156\u201363, 1994.","DOI":"10.1109\/FMPC.1995.380452"},{"issue":"9","key":"29_CR35","doi-asserted-by":"publisher","first-page":"1029","DOI":"10.1016\/0167-8191(93)90095-3","volume":"19","author":"R Trobec","year":"1993","unstructured":"R. Trobec, I. Jerebic and D. Jane\u017ei\u010d, \u201cParallel algorithms for molecular dynamics integration \u201d, Parallel Computing, Vol 19, no 9, 1029\u201339, 1993.","journal-title":"Parallel Computing"},{"key":"29_CR36","doi-asserted-by":"publisher","first-page":"151","DOI":"10.1021\/bk-1995-0592.ch011","volume":"592","author":"A Windemuth","year":"1995","unstructured":"A. Windemuth, \u201cAdvanced algorithms for molecular dynamics simulations: The program PMD \u201d, ACS Symposium Series 592, 151\u201369, 1995.","journal-title":"ACS Symposium Series"}],"container-title":["Lecture Notes in Computational Science and Engineering","Computational Molecular Dynamics: Challenges, Methods, Ideas"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/978-3-642-58360-5_29","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,3,7]],"date-time":"2025-03-07T07:52:39Z","timestamp":1741333959000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/978-3-642-58360-5_29"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1999]]},"ISBN":["9783540632429","9783642583605"],"references-count":36,"URL":"https:\/\/doi.org\/10.1007\/978-3-642-58360-5_29","relation":{},"ISSN":["1439-7358"],"issn-type":[{"type":"print","value":"1439-7358"}],"subject":[],"published":{"date-parts":[[1999]]}}}