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020 _a9781402097416
_9978-1-4020-9741-6
024 7 _a10.1007/978-1-4020-9741-6
_2doi
050 4 _aQC1-999
072 7 _aPHU
_2bicssc
072 7 _aSCI040000
_2bisacsh
082 0 4 _a530.1
_223
245 1 0 _aScientific Modeling and Simulations
_h[electronic resource] /
_cedited by Sidney Yip, Tomás Diaz de la Rubia.
264 1 _aDordrecht :
_bSpringer Netherlands,
_c2009.
300 _aVI, 402 p.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
490 1 _aLecture Notes in Computational Science and Engineering,
_x1439-7358 ;
_v68
505 0 _aScientific Modeling and Simulations -- A retrospective on the journal of computer-aided materials design (JCAD), 1993–2007 -- Extrapolative procedures in modelling and simulations: the role of instabilities -- Characteristic quantities and dimensional analysis -- Accuracy of models -- Multiscale simulations of complex systems: computation meets reality -- Chemomechanics of complex materials: challenges and opportunities in predictive kinetic timescales -- Tight-binding Hamiltonian from first-principles calculations -- Atomistic simulation studies of complex carbon and silicon systems using environment-dependent tight-binding potentials -- First-principles modeling of lattice defects: advancing our insight into the structure-properties relationship of ice -- Direct comparison between experiments and computations at the atomic length scale: a case study of graphene -- Shocked materials at the intersection of experiment and simulation -- Calculations of free energy barriers for local mechanisms of hydrogen diffusion in alanates -- Concurrent design of hierarchical materials and structures -- Enthalpy landscapes and the glass transition -- Advanced modulation formats for fiber optic communication systems -- Computational challenges in the search for and production of hydrocarbons -- Microscopic mechanics of biomolecules in living cells -- Enveloped viruses understood via multiscale simulation: computer-aided vaccine design -- Computational modeling of brain tumors: discrete, continuum or hybrid?.
520 _aThe conceptualization of a problem (modeling) and the computational solution of this problem (simulation), is the foundation of Computational Science. This coupled endeavor is unique in several respects. It allows practically any complex system to be analyzed with predictive capability by invoking the multiscale paradigm—linking unit-process models at lower length (or time) scales where fundamental principles have been established to calculations at the system level. The community of multiscale materials modeling has evolved into a multidisciplinary group with a number of identified problem areas of interest. Sidney Yip and Tomas Diaz De La Rubia, the editors of this volume, have gathered 18 contributions that showcase the conceptual advantages of modeling which, coupled with the unprecedented computing power through simulations, allow scientists to tackle the formibable problems of our society, such as the search for hydrocarbons, understanding the structure of a virus, or the intersection between simulations and real data in extreme environments. Scientific Modeling and Simulations advocates the scientific virtues of modeling and simulation, and also encourages the cross fertilization between communities, exploitations of high-performance computing, and experiment-simulation synergies. The contents of this book were previously published in Scientific Modeling and Simulations, Vol 15, No. 1-3, 2008.
650 0 _aPhysics.
650 0 _aChemistry, Physical and theoretical.
650 0 _aComputer simulation.
650 0 _aComputer mathematics.
650 0 _aApplied mathematics.
650 0 _aEngineering mathematics.
650 1 4 _aPhysics.
650 2 4 _aNumerical and Computational Physics.
650 2 4 _aAppl.Mathematics/Computational Methods of Engineering.
650 2 4 _aSimulation and Modeling.
650 2 4 _aComputational Science and Engineering.
650 2 4 _aTheoretical and Computational Chemistry.
700 1 _aYip, Sidney.
_eeditor.
700 1 _aRubia, Tomás Diaz de la.
_eeditor.
710 2 _aSpringerLink (Online service)
773 0 _tSpringer eBooks
776 0 8 _iPrinted edition:
_z9781402097409
830 0 _aLecture Notes in Computational Science and Engineering,
_x1439-7358 ;
_v68
856 4 0 _uhttp://dx.doi.org/10.1007/978-1-4020-9741-6
912 _aZDB-2-SMA
999 _c370222
_d370222