Computational materials science
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Table of contents
- 77
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A software tool for the topological and geometrical characterization of three-dimensional frameworksSastre, German / Gale, Julian D et al. | 2003
- 85
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Trocadero: a multiple-algorithm multiple-model atomistic simulation programRurali, R. / Hernández, E. et al. | 2003
- 107
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SAGE MD: molecular-dynamic software package to study properties of materials with different models for interatomic interactionsSelezenev, Alexander A. / Aleynikov, Alexey Yu. / Gantchuk, Nikolay S. et al. | 2003
- 125
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Merlin a versatile optimization environment applied to the design of metallic alloys and intermetallic compoundsPapageorgiou, D.G. / Lagaris, I.E. / Papanicolaou, N.I. et al. | 2003
- 134
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General-purpose distributed software for Monte Carlo simulations in materials designTouzik, A. / Hermann, H. / Wetzig, K. et al. | 2003
- 155
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Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scaleKokalj, Anton et al. | 2003
- 169
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Chemical Workbench––integrated environment for materials scienceDeminsky, M / Chorkov, V / Belov, G et al. | 2003
- 179
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Software products for modelling and simulation in materials scienceMalinov, S / Sha, W et al. | 2003
- 199
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Modeling microstructure evolution in three dimensions with Grain3D and LaGriTKuprat, Andrew / George, Denise / Straub, Galen et al. | 2003
- 209
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NWChem for materials scienceAprà, Edoardo / Bylaska, Eric J / Dean, David J et al. | 2003
- 222
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MOLCAS: a program package for computational chemistryKarlström, Gunnar / Lindh, Roland / Malmqvist, Per-Åke et al. | 2003
- 240
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Tools for analysing configuration interaction wavefunctionsDelaney, P. / Greer, J.C. et al. | 2003
- 250
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A generalized synchronous transit method for transition state locationGovind, Niranjan / Petersen, Max / Fitzgerald, George et al. | 2003
- 259
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Solid state calculations using WIEN2kSchwarz, Karlheinz / Blaha, Peter et al. | 2003
- 274
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Development and implementation of the exact exchange method for semiconductors using a localized basis setFernández, J.J. / Tablero, C. / Wahnón, P. et al. | 2003
- 287
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The EPMD-LMTO program for electron–positron momentum density calculations in solidsBarbiellini, B. / Dugdale, S.B. / Jarlborg, T. et al. | 2003
- 302
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Fokker–Planck modeling of electron kinetics in plasmas and semiconductorsKolobov, Vladimir I. et al. | 2003
- 321
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Computational chemistry for molecular electronicsKrstić, P.S. / Dean, D.J. / Zhang, X.-G. et al. | 2003
- 342
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NANOTCAD2D: Two-dimensional code for the simulation of nanoelectronic devices and structuresCuratola, G. / Iannaccone, G. et al. | 2003
- 353
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Simulations of the low-dimensional magnetic systems by the quantum transfer-matrix techniqueKamieniarz, G. / Matysiak, R. et al. | 2003
- 366
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Scalable parallel micromagnetic solvers for magnetic nanostructuresScholz, Werner / Fidler, Josef / Schrefl, Thomas et al. | 2003
- vii
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PrefaceGreer, Jim / Korkin, Anatoli / Labanowski, Jan et al. | 2003