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1. |
Record Nr. |
UNINA9910457171203321 |
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Autore |
Rapaport D. C. |
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Titolo |
The art of molecular dynamics simulation / / D.C. Rapaport [[electronic resource]] |
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Pubbl/distr/stampa |
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Cambridge : , : Cambridge University Press, , 2004 |
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ISBN |
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1-107-14671-2 |
1-139-63703-7 |
0-511-64818-9 |
0-511-19374-2 |
0-511-56632-8 |
0-511-81658-8 |
0-511-19448-X |
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Edizione |
[Second edition.] |
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Descrizione fisica |
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1 online resource (xiii, 549 pages) : digital, PDF file(s) |
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Disciplina |
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Soggetti |
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Condensed matter - Computer simulation |
Molecular dynamics - Computer simulation |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Title from publisher's bibliographic system (viewed on 05 Oct 2015). |
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Nota di bibliografia |
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Includes bibliographical references (p. 519-531) and indexes. |
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Nota di contenuto |
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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 dynamics |
17 Algorithms for supercomputers18 More about software; 19 The future; Appendix; References; Function index; Index; Colophon |
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Sommario/riassunto |
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The 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 |
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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. |
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2. |
Record Nr. |
UNINA9910788841703321 |
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Autore |
Farah Ilijas <1966-> |
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Titolo |
Analytic quotients : theory of liftings for quotients over analytic ideals on the integers / / Ilijas Farah |
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Pubbl/distr/stampa |
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Providence, Rhode Island : , : American Mathematical Society, , [2000] |
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©2000 |
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ISBN |
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Descrizione fisica |
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1 online resource (201 p.) |
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Collana |
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Memoirs of the American Mathematical Society, , 0065-9266 ; ; number 702 |
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Disciplina |
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Soggetti |
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Set theory |
Algebra, Boolean |
Lifting theory |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references and index. |
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Nota di contenuto |
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""Contents""; ""Preface""; ""Acknowledgments""; ""A note to the reader""; ""Introduction""; ""Chapter 1. Baire-measurable homomorphisms of analytic quotients""; ""1.1. Introduction""; ""1.2. Ideals induced by submeasures""; ""1.3. Preorderings on analytic quotients""; ""1.4. The Radon�Nikodym property""; ""1.5. Asymptotically additive liftings""; ""1.6. The Radon�Nikodym property of Fin and Fin x0""; ""1.7. A reformulation of Todorcevic's hypothesis""; ""1.8. Approximate |
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homomorphisms and non-pathological submeasures""; ""1.9. The lifting theorem and the non-lifting theorem"" |
""1.10. Permanence properties of quotients""""1.11. Simple FÏ? P-ideals which are not summable""; ""1.12. The structure of summable ideals""; ""1.13. The structure of density ideals""; ""1.14. Remarks and questions""; ""Chapter 2. Open Coloring Axiom and uniformization""; ""2.1. Why Open Coloring Axiom?""; ""2.2. Coherent families of partial functions""; ""2.3. Coherent families of partitions""; ""2.4. â??[sub(2)]-reflection for coherent families""; ""2.5. Remarks and questions""; ""Chapter 3. Homomorphisms of analytic quotients under OCA""; ""3.1. Introduction"" |
""3.2. Homomorphisms without Baire-measurable liftings""""3.3. Almost liftings and lifting theorems""; ""3.4. Applications: rigidity of analytic quotients""; ""3.5. Applications: quotients embeddable into analytic quotients""; ""3.6. Automorphism groups""; ""3.7. Homogeneity of analytic quotients""; ""3.8. Almost liftings of embeddings into P(N)/Fin""; ""3.9. Almost liftings of embeddings into P(N[sup(2)])/Fin x0""; ""3.10. Nonmeager hereditary sets""; ""3.11. Approximate homomorphisms; more on stabilizers""; ""3.12. A local version of the OCA lifting theorem"" |
""3.13. The proof of the OCA lifting theorem for the analytic P-ideals""""3.14. Remarks and questions""; ""Chapter 4. Weak Extension Principle""; ""4.1. Introduction""; ""4.2. Dependence of functions on their variables""; ""4.3. Prime mappings""; ""4.4. Autohomeomorphisms of finite powers of β[sub(w)] and w*""; ""4.5. Cech�Stone remainders of countable ordinals""; ""4.6. Some Parovicenko spaces under wEP""; ""4.7. Remainders of locally compact, countable spaces""; ""4.8. Almost liftings and duality""; ""4.9. OCA and MA imply wEP""; ""4.10. Versions of wEP""; ""4.11. Remarks and questions"" |
""Chapter 5. Gaps and limits in analytic quotients""""5.1. Introduction""; ""5.2. Gaps in the quotient over Fin""; ""5.3. Gaps in the quotient over 0 x Fin""; ""5.4. Gaps in the quotient over Fin x0""; ""5.5. The Todorcevic separation property, TSP""; ""5.6. Tukey reductions of nonlinear gaps""; ""5.7. TSP in quotients over analytic P-ideals""; ""5.8. Quotients as reduced products""; ""5.9. Preservation of gaps""; ""5.10. An analytic Hausdorff gap""; ""5.11. Limits in analytic quotients""; ""5.12. A coherent family of functions""; ""5.13. Remarks and questions""; ""Bibliography""; ""Index"" |
""A"" |
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