03659nam 22006492 450 991045717120332120151005020623.01-107-14671-21-139-63703-70-511-64818-90-511-19374-20-511-56632-80-511-81658-80-511-19448-X(CKB)1000000000353444(EBL)259878(OCoLC)144618365(SSID)ssj0000277014(PQKBManifestationID)11204998(PQKBTitleCode)TC0000277014(PQKBWorkID)10245822(PQKB)11564725(UkCbUP)CR9780511816581(MiAaPQ)EBC259878(Au-PeEL)EBL259878(CaPaEBR)ebr10130393(OCoLC)935232835(EXLCZ)99100000000035344420141103d2004|||| uy| 0engur|||||||||||txtrdacontentcrdamediacrrdacarrierThe art of molecular dynamics simulation /D.C. Rapaport[electronic resource]Second edition.Cambridge :Cambridge University Press,2004.1 online resource (xiii, 549 pages) digital, PDF file(s)Title from publisher's bibliographic system (viewed on 05 Oct 2015).0-521-53275-2 0-521-82568-7 Includes bibliographical references (p. 519-531) and indexes.Cover; 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 dynamics17 Algorithms for supercomputers18 More about software; 19 The future; Appendix; References; Function index; Index; ColophonThe 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.Condensed matterComputer simulationMolecular dynamicsComputer simulationCondensed matterComputer simulation.Molecular dynamicsComputer simulation.539/.6Rapaport D. C.1055936UkCbUPUkCbUPBOOK9910457171203321The art of molecular dynamics simulation2489786UNINA01169nam0 22003013i 450 IEI043553620231121125510.020161125d1964 ||||0itac50 bagerdez01i xxxe z01nChristian Morgenstern in Selbstzeugnissen und Bilddokumentendargestellt von Martin Beheim-SchwarzbachReinbek bei HamburgRowohlt1964165 p.ill.19 cmRowohlts Monographien97001LO104140372001 Rowohlts Monographien97Morgenstern, ChristianFIRSBLC038023I831.912Poesia tedesca. 1900-194522Beheim-Schwarzbach, MartinUFIV128977070188594ITIT-0120161125IT-FR0017 Biblioteca umanistica Giorgio ApreaFR0017 NIEI0435536Biblioteca umanistica Giorgio Aprea 52MAG 1 COLL I 8 52SBA0000219645 VMN RS A 2016112920161129 52Christian Morgenstern in Selbstzeugnissen und Bilddokumenten200476UNICAS01078nam0 22002771i 450 UON0030087720231205104003.84420070920d1924 |0itac50 bapolPL|||| 1||||Adam MickiewiczPolska i Stany Zjednoczone AmerykiJulian ZachariewiczLwowSpolka Akyjna Wydawnicza1924183 p.tav., c. geogr.24 cm.MICKIEWICZ ADAMUONC051734FIUALwówUONL001147891.85Letteratura polacca21ZACHARIEWICZJulianUONV173044695713Nakladem Spolki Akcyjnej WydawniczejUONV273744650ITSOL20250725RICASIBA - SISTEMA BIBLIOTECARIO DI ATENEOUONSIUON00300877SIBA - SISTEMA BIBLIOTECARIO DI ATENEOSI FD POLACCO 0071 SI MR 25135/2 7 0071 MICKEVIC ADAMMICKIEWICZ ADAMUONC087313Adam Mickiewicz1378660UNIOR