Towards Multiscale Simulations of Carbon Nanotube Growth Process: A Density Functional Theory Study of Transition Metal Hydrides

Satyender Goel, Artëm E. Masunov. Towards Multiscale Simulations of Carbon Nanotube Growth Process: A Density Functional Theory Study of Transition Metal Hydrides. In Gabrielle Allen, Jaroslaw Nabrzyski, Edward Seidel, G. Dick van Albada, Jack Dongarra, Peter M. A. Sloot, editors, Computational Science - ICCS 2009, 9th International Conference, Baton Rouge, LA, USA, May 25-27, 2009, Proceedings, Part I. Volume 5544 of Lecture Notes in Computer Science, pages 765-774, Springer, 2009. [doi]

Abstract

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