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

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Special issue of
 
Computational Materials Science (Vol. 28/2)

Guest Editors:

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

 Click here for full text available on Science Direct

Click on Titles/Authors below to view Abstracts

  Preface
1. German Sastre and Julian D. Gale
A software tool for the topological and geometrical characterization of three-dimensional frameworks
2. R. Rurali, E. Hernandez
Trocadero: a multiple-algorithm multiple-model simulation program
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
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
5. A.Touzik, H.Hermann and K.Wetzig
General-purpose distributed software for Monte Carlo simulations in materials design
6. Anton Kokalj
Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale
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
8. S. Malinov, W. Sha
Software products for modelling and simulation in materials science
9. Andrew Kuprat, Denise George, Galen Straub, Melik C. Demirel
Modeling Microstructure Evolution in Three Dimensions with Grain3D and LaGriT
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
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
12. P. Delaney and J. C. Greer
Tools for analysing configuration interaction wavefunctions
13. Niranjan Govind, Max Petersen, George Fitzgerald, Dominic King-Smith, Jan Andzelm
A generalized synchronous transit method for transition state location
14. Karlheinz Schwarz and Peter Blaha
Solid state calculation using WIEN2k
15. J.J. Fernandez, C. Tablero, P. Wahnon
Development and implementation of the Exact Exchange Method for Semiconductors using a localized basis set
16. B. Barbiellini, S.B. Dugdale, T. Jarlborg
The EPMD-LMTO program for electron positron momentum density calculations in solids
17. Vladimir I. Kolobov
Fokker Planck Modeling of Electron Kinetics in Plasmas and Semiconductors
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
19. G. Curatola and G. Iannaccone
NANOTCAD2D: Two-dimensional code for the simulation of nanoelectronic devices and structures
20. G. Kamieniarz, R. Matysiak
Simulations of the low-dimensional magnetic systems by the quantum transfer-matrix technique
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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