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High Performance Computing in Science and Engineering '10 Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2010

:	Michael M. Resch, Dietmar B. Kröner, Wolfgang E. Nagel
:	Wolfgang E. Nagel, Dietmar B. Kröner, Michael M. Resch
:	High Performance Computing in Science and Engineering '10 Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2010
:	Springer-Verlag
:	9783642157486
:	1
:	CHF 153,00
:

:	Allgemeines, Lexika
:	English

:	604
:	Wasserzeichen
:	PC/MAC/eReader/Tablet
:	PDF

This book presents the state-of-the-art in simulation on supercomputers. Leading researchers present results achieved on systems of the High Performance Computing Center Stuttgart (HLRS) for the year 2010. The reports cover all fields of computational science and engineering, ranging from CFD to computational physics and chemistry to computer science, with a special emphasis on industrially relevant applications. Presenting results for both vector systems and microprocessor-based systems, the book makes it possible to compare the performance levels and usability of various architectures. As HLRS operates the largest NEC SX-8 vector system in the world, this book gives an excellent insight into the potential of vector systems, covering the main methods in high performance computing. Its outstanding results in achieving the highest performance for production codes are of particular interest for both scientists and engineers. The book includes a wealth of color illustrations and tables.

Wolfgang E. Nagel: Chair of Computer Architecture at Technical University Dresden, Germany. Director of the Center for Information Services and High Performance Computing (ZIH) in Dresden; Chairman of the Advisory Board for the High Performance Computing Center Stuttgart (HLRS). Dietmar Kröner: Chair of Applied Mathematics at the University of Freiburg. Deputy Chairman of the Advisory Board for the High Performance Computing Center Stuttgart (HLRS). Michael Resch: Chair of high performance computing at the University of Stuttgart, Germany. Director of the High Performance Computing Center Stuttgart; Member of the board of the high performance computing competence center of the state of Baden-Württemberg, Winner of HPC Challenge 2003 at SC'2003, Invited Plenary Speaker at SC'07, Reno, USA

	Preface	4
	Contents	7
	Physics	12
	Spin-Liquid Phase in the Hubbard Model on the Honeycomb Lattice	15
	Overview	15
	Introduction	16
	Model and Method	17
	Results	19
	Discussion	24
	References	26
	Massive and Massless Four-Loop Integrals	28
	Introduction	28
	Further Development of ParFORM	29
	Massless Four-Loop Integrals	32
	Massive Four-Loop Integrals	34
	References	35
	Ligand Protected Gold Alloy Clusters as Superatoms	38
	Introduction	38
	Methods	39
	Doped Gold Clusters	39
	Nickel-Carbonyl Protected Superatoms	43
	Conclusions	48
	References	48
	The Chiral Critical Surface of QCD	51
	Introduction	51
	The Binder Cumulant and Universality	53
	Chiral Critical Surface, Nf=3, Nt=4	55
	Chiral Critical Surface, Nf=2+1, Nt=4	56
	Results for Nf=3 and Nt=6	56
	Simulation Details	57
	Conclusions	58
	References	58
	Mesoscopic Simulations of Polyelectrolyte Electrophoresis in Nanochannels	60
	Introduction	60
	Dissipative Particle Dynamics	61
	The Software Package ESPResSo	62
	Polyelectrolyte Electrophoresis in Microchannels	63
	General Theory	63
	Simulation Details	65
	Results	66
	Summary	72
	References	74
	The SuperN-Project: An Update on Core-Collapse Supernova Simulations	75
	Introduction	75
	Numerical Models	76
	History and Constraints	76
	The Mathematical Model	78
	``Ray-by-Ray Plus'' Method for the Neutrino Transport Problem	78
	Parallelization	82
	Recent Results and Ongoing Work	84
	Relativistic Supernova Models	84
	Simulations of Neutron Star Cooling	85
	Conclusions and Outlook	87
	References	88
	Higgs Boson Mass Bounds from a Chirally Invariant Lattice Higgs-Yukawa Model	90
	Introduction	90
	The SU(2)LSU(2)R Invariant Higgs-Yukawa Model	91
	Implementation, Performance, and Parallelization	94
	Results	98
	The Higgs Boson Mass Bounds	99
	Preliminary Data on the Effects of a Heavy Fourth Generation	101
	Resonance Parameters of the Higgs Boson	102
	Summary and Outlook	104
	References	105
	Dust, Chemistry	105
	108	105
	Introduction	108
	Numerical Code	110
	Model Description	111
	Simulation Results	112
	Flow Structure	112
	Time History	113
	Vertical Structure	115
	Turbulent Saturation Level	117
	Ressources Used	118
	Conclusion	118
	119	118
	References	120
	Solid State Physics	122
	Organic-Metal Interface: Adsorption of Cysteine on Au(110) from First Principles	124
	Introduction	124
	Computational Methods	125
	Results and Discussion	126
	The Thiolate-Gold Bond	126
	The Amino-Gold Bond	133
	Summary and Outlook	137
	References	138
	Ab-initio Characterization of Electronic Properties of PbTe Quantum Dots Embedded in a CdTe Matrix	140
	Introduction	140
	Computational Method	142
	Theoretical Background	142
	Computational Cost	143
	Nanocrystal Construction Using Supercells	144
	Results and Discussion	145
	Induced Electrostatic Fields	145
	Electronic Properties	145
	Spatial Localization of Electrons and Holes: Quantum Confined Stark Effect (QCSE)	149
	Summary and Outlook	150
	References	151
	Si(111)-In Nanowire Optical Response from Large-scale Ab Initio Calculations	153
	Introduction	153
	Computational Method	155
	Results	157
	Summary	160
	References	160
	Laser Ablation of Metals	163
	Introduction	163
	Physical Challenge	163
	Report	164
	Interaction Parameters for Aluminium	164
	Heat Propagation and Two-Temperature Model	165
	Simulation of Laser Ablation in Aluminium	167
	Active Boundary Conditions	168
	Cluster Analysis of the Gas Phase	168
	Anisotropic Materials	169
	Performance	170