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_a539.701/13 _223 |
049 | _aMAIN | ||
100 | 1 | _aBrázdová, Veronika. | |
245 | 1 | 0 |
_aAtomistic computer simulations : _ba practical guide / _cVeronika Brázdová and David R. Bowler. |
260 |
_aWeinheim : _bWiley-VCH, _c©2013. |
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_a1 online resource (xxix, 331 pages) : _billustrations (some color) |
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_atext _btxt _2rdacontent |
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_acomputer _bc _2rdamedia |
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338 |
_aonline resource _bcr _2rdacarrier |
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504 | _aIncludes bibliographical references and index. | ||
588 | 0 | _aPrint version record. | |
520 | _aThis introductory ""how to"" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a thorough understanding of the concepts behind the equations and how these are used in the simulations. As a result, readers will learn how to design the computational model and which parameters of the simulations are essential, as well as being able to assess whether the results are correct, find and correct errors. | ||
505 | 0 | _apt. 1. The world at the atomic scale -- pt. 2. Introducing equations to describe the system -- pt. 3. Describing interactions between atoms -- pt. 4. Setting up and running the calculation -- pt. 5. Analyzing results. | |
650 | 0 |
_aAtoms _xComputer simulation. |
|
650 | 0 |
_aMolecular dynamics _xComputer simulation. |
|
650 | 4 | _aAtoms. | |
650 | 4 |
_aMolecular dynamics _xComputer simulation. |
|
650 | 4 | _aMolecules. | |
650 | 7 |
_aSCIENCE _xPhysics _xNuclear. _2bisacsh |
|
655 | 4 | _aElectronic books. | |
700 | 1 |
_aBowler, D. R. _q(David R.) |
|
776 | 0 | 8 |
_iPrint version: _aBrázdová, Veronika. _tAtomistic computer simulations. _dWeinheim : Wiley-VCH, ©2013 _z9783527410699 _z3527410694 |
856 | 4 | 0 |
_uhttp://onlinelibrary.wiley.com/book/10.1002/9783527671816 _zWiley Online Library [Free Download only for SUST IP] |
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