High-performance parallel solver for 3D time-dependent Schrödinger equation for large-scale nanosystems

DOI10.1016/j.cpc.2014.11.005zbMath1344.35118OpenAlexW1973857746MaRDI QIDQ310820

M. A. Sonkin, I. K. Gainullin

Publication date: 8 September 2016

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2014.11.005

zbMATH Keywords

GPUFDM3D TDSEhigh-performance calculationsresonant electron tunneling

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Finite difference methods for initial value and initial-boundary value problems involving PDEs (65M06) Computational methods for problems pertaining to quantum theory (81-08) Numerical algorithms for specific classes of architectures (65Y10) Time-dependent Schrödinger equations and Dirac equations (35Q41)

Related Items (5)

Fourth order real space solver for the time-dependent Schrödinger equation with singular Coulomb potential ⋮ High-performance GPU parallel solver for 3D modeling of electron transfer during ion-surface interaction ⋮ An exponential integrator/WENO discretization for sonic-boom simulation on modern computer hardware ⋮ Трехмерное моделирование зарядового обмена ионов с металлическими поверхностями ⋮ ITVOLT: an iterative solver for the time-dependent Schrödinger equation

Uses Software

• TDSE Solver

Cites Work

• Unnamed Item
• Three-dimensional simulation of the femto-second pulsed laser interacting with a nitrogen molecule
• An OpenCL implementation for the solution of the time-dependent Schrödinger equation on GPUs and CPUs
• New method for solving multidimensional scattering problem
• A comparison of different propagation schemes for the time dependent Schrödinger equation

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