The Art of Molecular Dynamics Simulation (Record no. 2049)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 01919nam a22001817a 4500 |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20240206102959.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 240206b |||||||| |||| 00| 0 eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9780521825689 |
| 082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Classification number | 541.22 |
| Item number | RAP |
| 100 ## - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Rapaport D. C. |
| 245 ## - TITLE STATEMENT | |
| Title | The Art of Molecular Dynamics Simulation |
| Statement of responsibility, etc. | D. C. Rapaport |
| 250 ## - EDITION STATEMENT | |
| Edition statement | 2nd |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. | |
| Place of publication, distribution, etc. | london |
| Name of publisher, distributor, etc. | Cambridge |
| Date of publication, distribution, etc. | 2004 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Page number | 564p |
| 505 ## - FORMATTED CONTENTS NOTE | |
| Title | 1. Introduction<br/>2. Basic molecular dynamics<br/>3. Simulating simple systems<br/>4. Equilibrium properties of simple fluids<br/>5. Dynamical properties of simple fluids<br/>6. Alternative ensembles<br/>7. Nonequilibrium dynamics<br/>8. Rigid molecules<br/>9. Flexible molecules<br/>10. Geometrically constrained molecules<br/>11. Internal coordinates<br/>12. Many-body interactions<br/>13. Long-range interactions<br/>14. Step potentials<br/>15. Time-dependent phenomena<br/>16. Granular dynamics<br/>17. Algorithms for supercomputers<br/>18. More about software<br/>19. The future. |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. | 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 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 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Source of classification or shelving scheme | Dewey Decimal Classification |
| Koha item type | Books |
| 952 ## - LOCATION AND ITEM INFORMATION (KOHA) | |
| -- | 6067 |
| 952 ## - LOCATION AND ITEM INFORMATION (KOHA) | |
| -- | 6083 |
| Withdrawn status | Lost status | Source of classification or shelving scheme | Damaged status | Not for loan | Collection code | Home library | Current library | Shelving location | Date acquired | Source of acquisition | Inventory number | Total Checkouts | Full call number | Barcode | Date last seen | Date last checked out | Cost, replacement price | Price effective from | Currency | Koha item type | Cost, normal purchase price |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Dewey Decimal Classification | Non-fiction | IIITDM Kurnool | IIITDM Kurnool | General Stacks | 06.02.2024 | New India Book Agency | 4849 dt 29-12-2023 | 1 | 541.22 RAP | 0005279 | 16.08.2024 | 12.07.2024 | 99.99 | 06.02.2024 | GBP | Books | |||||
| Dewey Decimal Classification | Non-fiction | IIITDM Kurnool | IIITDM Kurnool | General Stacks | 15.02.2024 | New India Book Agency | 4876 dt 10/1/2024 | 541.22 RAP | 0005447 | 15.02.2024 | 99.99 | 15.02.2024 | GBP | Books | 99.99 |