NANOSYSTEMS: PHYSICS, CHEMISTRY, MATHEMATICS, 2013, 4 (4), P. 512–523
GENETIC ALGORITHM FOR CONSTRUCTING GRAPHENE NANORIBBON WITH GIVEN ELECTRONIC TRANSPORT PROPERTIES
I. S. Lobanov – St. Petersburg National Research University of Information Technologies, Mechanics and Optics, St. Petersburg, Russia; lobanov.igor@gmail.com
A. I. Trifanov – St. Petersburg National Research University of Information Technologies, Mechanics and Optics, St. Petersburg, Russia; alextrifanov@gmail.com
E. S. Trifanova – St. Petersburg National Research University of Information Technologies, Mechanics and Optics, St. Petersburg, Russia; etrifanova@gmail.com
Electronic transport in carbon nanoribbon is studied in a quantum graph model. A numerical method for current-voltage curve calculation is proposed. Various optimizations of a parallelization scheme are discussed. A parallel genetic algorithm to solve an inverse transport problem is invented.
Keywords: quantum graph, electronic properties, genetic algorithm, graphene nanoribbon.
PACS 72.80.Vp, 73.21.Hb, 73.22.Dj, 73.22.Pr, 73.63.Nm