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Molecular Simulation Volume 43, 2017 - Issue 13-16: Proceedings of the 4th International Conference on Molecular Simulation
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Articles

Quantum chemical molecular dynamics simulation of carbon nanotube–graphene fusion

Hu-Jun QianState Key Laboratory of Superamolecular Structure and Materials, Jilin University, Changchun, P.R. China;Department of Chemistry, WPI-Institute of Transformative Bio-Molecules, Nagoya University, Nagoya, JapanCorrespondence[email protected]
,
Gyula EresMaterials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA
&
Stephan IrleDepartment of Chemistry, WPI-Institute of Transformative Bio-Molecules, Nagoya University, Nagoya, Japan
Pages 1269-1276 | Received 09 Feb 2017, Accepted 02 May 2017, Published online: 01 Jun 2017

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