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Computational Studies of New Materials is written by Daniel A. Jelski and published by World Scientific. It's available with International Standard Book Number or ISBN identification 9810233256 (ISBN 10) and 9789810233259 (ISBN 13).
Highlights some computational approaches to the study of new materials that include fullerenes, fractal clusters, charge transfer polymers, incommensurate crystals, and semiconductor nanostructures.