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008 130426s2013 gw a ob 001 0 eng d
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019 _a841648908
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020 _a9783527671816
_q(electronic bk.)
020 _a3527671811
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020 _a9783527671847
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020 _a3527671846
_q(ePDF)
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020 _a1299448712
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020 _a9781118284834
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020 _a1118284836
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020 _z9783527410699
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020 _z3527410694
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020 _z9781118218297
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035 _a(OCoLC)841050418
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037 _a476121
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050 4 _aQC171.2
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072 7 _aSCI
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082 0 4 _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.
300 _a1 online resource (xxix, 331 pages) :
_billustrations (some color)
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
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
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