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Other publications from this meeting: Microelectronics Engineering issue, and Nano and Giga Challenges in Microelectronics monograph.

Click on paper title or author names to view the PDF file -- you need to have Adobe Acrobat to view papers. It is usually installed by default, but if you do not have it, you need to download it from: http://www.adobe.com

Color figures can be included in papers at author's expense. While the precise cost needs to be individually estimated by the Publisher, the ballpark figures are: 408 euro for the first page with color figure, and 204 for any subsequent pages. The invoice needs to be sent to the author and accepted before it goes to production. Contact: Michelle Penman, Materials Science and Engineering, Elsevier Science Limited, The Boulevard, Langford Lane, Kidlington, Oxford, OX5 1GB, UK, Tel : +44 (0) 1865 843882, Fax: +44 (0) 1865 843920, e-mail: .

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Special issue of
 
Computational Materials Science

Guest Editors:
Jim Greer (NMRC, Cork, Ireland),
Anatoli Korkin (SPS Motorola, Tempe, AZ, USA)
Jan Labanowski (Ohio Supercomputer Center, Columbus, OH, USA),

  Preface (LaTeX source is here)
1. German Sastre and Julian D. Gale
A software tool for the topological and geometrical characterization of three-dimensional frameworks
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2. R. Rurali, E. Hernandez
Trocadero: a multiple-algorithm multiple-model simulation program
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3. Alexander A. Selesenev, Alexy Yu. Aleynikov, Nikolay S. Gantchuk, Pavel V. Yermakov, Jan K. Labanowski, A. A. Korkin
SAGE MD: Molecular Dynamics Software Package to Study Properties of Materials with Different Models for Interatomic Interactions
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4. D.G. Papageorgiou, I.E. Lagaris, N.I. Papanicolaou, G. Petsos and H.M. Polatoglou
MERLIN a versatile optimization environment applied to the design of metallic alloys and intermetallic compounds
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5. A.Touzik, H.Hermann and K.Wetzig
General-purpose distributed software for Monte Carlo simulations in materials design
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6. Anton Kokalj
Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale
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7. M. Deminsky, V. Chorkov, G. Belov, I. Cheshigin, A. Knizhnik, E. Shulakova, M. Shulakov, I. Iskandarova, V. Alexandrov, A. Petrusev, B. Potapkin, I. Kirillov, M. Strelkova, S. Umanski
Chemical Workbench - Integrated Environment for Materials Science
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8. S. Malinov, W. Sha
Software products for modelling and simulation in materials science
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9. Andrew Kuprat, Denise George, Galen Straub, Melik C. Demirel
Modeling Microstructure Evolution in Three Dimensions with Grain3D and LaGriT
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10. Edoardo Apra, Eric J. Bylaska, David J. Dean, Alessandro Fortunelli, Fei Gao. Predrag S. Krstic, Jack C. Wells, Theresa L. Windus
NWChem for Materials Science
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11. Gunnar Karlström, Roland Lindh, Per-Åke Malmqvist, Björn O. Roos, Ulf Ryde, Valera Veryazov, Per-Olof Widmark, Maurizio Cossi, Bernd Schimmelpfennig, Pavel Neogrady, Luis Seijo.
MOLCAS: a Program Package for Computational Chemistry
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12. P. Delaney and J. C. Greer
Tools for analysing configuration interaction wavefunctions
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13. Niranjan Govind, Max Petersen, George Fitzgerald, Dominic King-Smith, Jan Andzelm
A generalized synchronous transit method for transition state location
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14. Karlheinz Schwarz and Peter Blaha
Solid state calculation using WIEN2k
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15. J.J. Fernandez, C. Tablero, P. Wahnon
Development and implementation of the Exact Exchange Method for Semiconductors using a localized basis set
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16. B. Barbiellini, S.B. Dugdale, T. Jarlborg
The EPMD-LMTO program for electron positron momentum density calculations in solids
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17. Vladimir I. Kolobov
Fokker Planck Modeling of Electron Kinetics in Plasmas and Semiconductors
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18. P.S. Krstic, D.J. Dean, X.-G. Zhang, D. Keffer, Y.S. Leng, P.T. Cummings, J.C. Wells
Computational Chemistry for Molecular Electronics
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19. G. Curatola and G. Iannaccone
NANOTCAD2D: Two-dimensional code for the simulation of nanoelectronic devices and structures
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20. G. Kamieniarz, R. Matysiak
Simulations of the low-dimensional magnetic systems by the quantum transfer-matrix technique
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21. Werner Scholz, Josef Fidler, Thomas Schrefl, Dieter Suess, Rok Dittrich, Hermann Forster, Vassilios Tsiantos
Scalable Parallel Micromagnetic Solvers for Magnetic Nanostructures
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