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Computational Materials Science
Comput Mater Sci

ISSN: 0927-0256.

Computational Materials Science aims to enhance the communication between experimental materials research and computational work on both existing and new, advanced materials and their applications. It publishes articles of interest to physicists, chemists and materials researchers and engineers and to other scientists involved with materials phenomena and computational modelling. The journal covers computational modelling of materials properties and phenomena, ranging from the synthesis, characterisation and processing of materials, structures and devices to the numerical methodology of materials simulations. Computational Materials Science invites contributions on quantum, classical and statistical mechanical studies, such as, but not limited to: semi-empirical, e.g. tight-binding and embedded-atom methods; first-principle calculations; density-functional theory; atomic and molecular-scale simulations, e.g. MC and MD techniques; other modelling techniques using macroscopic input, e.g. FE-methods, and contributions on properties of materials including electronic, dynamical, transport, mechanical, growth and thermodynamical properties of materials such as metals and alloys, semiconductors, insulators, superconductors, biomaterials, polymers, ceramics and composites in liquid, crystal, amorphous and cluster-like states.

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