LEADER 01645cam0-22003611i-450- 001 990002047280403321 005 20161015223357.0 035 $a000204728 035 $aFED01000204728 035 $a(Aleph)000204728FED01 035 $a000204728 100 $a20130312d1634----km-y0itay50------ba 101 0 $alat 140 $aa-------------------bb0----- 200 1 $aInsectorum sive Minimorum animalium theatrum: olim ab Edoardo Wottono, Conrado Gesnero, Thomaque Pennio inchoatum: tandem Tho. Moufeti Londinatis opera sumptibusque maximis concinnatum, auctum, perfectum: et ad vivum expressis iconibus supra quingentis illustratum 210 $aLondini$cex Officina typographica Thom. Cotes, et venales extant apud Benjam. 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Iverson 210 $aNew York [etc.]$cJohn Wiley$d1962 215 $a286 p.$d24 cm 610 0 $aComputer$aProgrammazione 610 0 $aTeoria della programmazione e utilizzazione dei computers 610 0 $aSoftware 610 0 $aComputer science 676 $a510.78 676 $a005.1 700 1$aIverson,$bKenneth E. 801 0$aIT$bUNINA$gRICA$2UNIMARC 901 $aBK 912 $a990000494870403321 952 $aA/5 IVE$b024205$fSES 952 $a10 P.T. 12$b291 CCE$fDINEL 952 $a8B-017$b2850$fFI1 952 $a8-F-16$b4689$fMA1 959 $aDINEL 959 $aSES 959 $aFI1 959 $aMA1 962 $a68-XX 997 $aUNINA LEADER 03659nam 22006492 450 001 9910457171203321 005 20151005020623.0 010 $a1-107-14671-2 010 $a1-139-63703-7 010 $a0-511-64818-9 010 $a0-511-19374-2 010 $a0-511-56632-8 010 $a0-511-81658-8 010 $a0-511-19448-X 035 $a(CKB)1000000000353444 035 $a(EBL)259878 035 $a(OCoLC)144618365 035 $a(SSID)ssj0000277014 035 $a(PQKBManifestationID)11204998 035 $a(PQKBTitleCode)TC0000277014 035 $a(PQKBWorkID)10245822 035 $a(PQKB)11564725 035 $a(UkCbUP)CR9780511816581 035 $a(MiAaPQ)EBC259878 035 $a(Au-PeEL)EBL259878 035 $a(CaPaEBR)ebr10130393 035 $a(OCoLC)935232835 035 $a(EXLCZ)991000000000353444 100 $a20141103d2004|||| uy| 0 101 0 $aeng 135 $aur||||||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 14$aThe art of molecular dynamics simulation /$fD.C. Rapaport$b[electronic resource] 205 $aSecond edition. 210 1$aCambridge :$cCambridge University Press,$d2004. 215 $a1 online resource (xiii, 549 pages) $cdigital, PDF file(s) 300 $aTitle from publisher's bibliographic system (viewed on 05 Oct 2015). 311 $a0-521-53275-2 311 $a0-521-82568-7 320 $aIncludes bibliographical references (p. 519-531) and indexes. 327 $aCover; Half-title; Title; Copyright; Contents; Preface to the first edition; Preface to the second edition; About the software; 1 Introduction; 2 Basic molecular dynamics; 3 Simulating simple systems; 4 Equilibrium properties of simple fluids; 5 Dynamical properties of simple fluids; 6 Alternative ensembles; 7 Nonequilibrium dynamics; 8 Rigid molecules; 9 Flexible molecules; 10 Geometrically constrained molecules; 11 Internal coordinates; 12 Many-body interactions; 13 Long-range interactions; 14 Step potentials; 15 Time-dependent phenomena; 16 Granular dynamics 327 $a17 Algorithms for supercomputers18 More about software; 19 The future; Appendix; References; Function index; Index; Colophon 330 $aThe extremely powerful technique of molecular dynamics simulation involves solving the classical many-body problem in contexts relevant to the study of matter at the atomistic level. Since there is no alternative approach capable of handling this extremely broad range of problems at the required level of detail, molecular dynamics methods have proved themselves indispensable in both pure and applied research. This book, first published in 2004, is a blend of tutorial and recipe collection, providing both an introduction to the subject for beginners and a reference manual for the more experienced practitioner. It is organized as a series of case studies that take the reader through each of the steps from formulating the problem, developing the necessary software, and then using the programs to make actual measurements. The second edition of the book includes a substantial amount of new material as well as completely rewritten software. 606 $aCondensed matter$xComputer simulation 606 $aMolecular dynamics$xComputer simulation 615 0$aCondensed matter$xComputer simulation. 615 0$aMolecular dynamics$xComputer simulation. 676 $a539/.6 700 $aRapaport$b D. 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