Scalable atomistic simulations of quantum electron transport using empirical pseudopotentials

DOI10.1016/j.cpc.2019.06.009OpenAlexW2918310161WikidataQ127665505 ScholiaQ127665505MaRDI QIDQ2696519

Maarten L. Van de Put, William G. Vandenberghe, Massimo V. Fischetti

Publication date: 14 April 2023

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

Full work available at URL: https://arxiv.org/abs/1903.00548

zbMATH Keywords

finite elementsBloch wavesquantum electron transportempirical pseudopotentials

Mathematics Subject Classification ID

Optics, electromagnetic theory (78-XX) Statistical mechanics, structure of matter (82-XX)

Related Items (1)

Solution of the Schrödinger equation for quasi-one-dimensional materials using helical waves

Uses Software

• PyAMG
• GitHub

Cites Work

• Extension and optimization of the FIND algorithm: Computing Green's and less-than Green's functions
• Subband decomposition approach for the simulation of quantum electron transport in nanostructures
• The partition of unity finite element method: basic theory and applications
• The design and analysis of the generalized finite element method
• A Hybrid Classical-Quantum Transport Model for the Simulation of Carbon Nanotube Transistors
• TetGen, a Delaunay-Based Quality Tetrahedral Mesh Generator
• Symmetric Linearizations for Matrix Polynomials
• GENERALIZED FINITE ELEMENT METHODS — MAIN IDEAS, RESULTS AND PERSPECTIVE
• Wave Functions in a Periodic Potential
• Forces in Molecules

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