Efficient linear-scaling quantum transport calculations on graphics processing units and applications on electron transport in graphene

DOI10.1016/J.CPC.2013.08.009zbMath1344.82043arXiv1307.0288OpenAlexW2028358635MaRDI QIDQ313841

Andreas Uppstu, Zheyong Fan, Ari Harju, Topi Siro

Publication date: 12 September 2016

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1307.0288

zbMATH Keywords

Chebyshev polynomial expansionquantum transportgrapheneCUDAgraphics processing unitKubo-Greenwood formula

Mathematics Subject Classification ID

Transport processes in time-dependent statistical mechanics (82C70) Quantum dynamics and nonequilibrium statistical mechanics (general) (82C10)

Related Items (3)

Electron-hole asymmetry in electrical conductivity of low-fluorinated graphene: numerical study ⋮ Linear scaling quantum transport methodologies ⋮ Quantum multidimensional color images similarity comparison

Uses Software

• CUDA
• KUBO

Cites Work

• Accelerated molecular dynamics force evaluation on graphics processing units for thermal conductivity calculations
• An OpenCL implementation for the solution of the time-dependent Schrödinger equation on GPUs and CPUs
• Solution of the Schrödinger equation by a spectral method
• Computational implementation of the Kubo formula for the static conductance: application to two-dimensional quantum dots
• Numerical approaches to time evolution of complex quantum systems
• The kernel polynomial method
• The Boltzmann Equation in the Theory of Electrical Conduction in Metals
• ELECTRONIC TRANSPORT IN GRAPHENE: QUANTUM EFFECTS AND ROLE OF LOCAL DEFECTS

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