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

DOI10.1016/J.CPC.2014.11.005MaRDI QIDQ310820zbMATH OpenOpenAlexFDO

Authors I. K. Gainullin, M. A. Sonkin

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

3D TDSEFDMGPUhigh-performance calculationsresonant electron tunneling

Mathematics Subject Classification ID

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

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Cites work

• A comparison of different propagation schemes for the time dependent Schrödinger equation
• An OpenCL implementation for the solution of the time-dependent Schrödinger equation on GPUs and CPUs
• scientific article; zbMATH DE number 814821 (Why is no real title available?)
• New method for solving multidimensional scattering problem
• Three-dimensional simulation of the femto-second pulsed laser interacting with a nitrogen molecule

Cited in

(14)

• 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
• Computational performance of simple and efficient sequential and parallel Dirac equation solvers
• A GPGPU based program to solve the TDSE in intense laser fields through the finite difference approach
• Трехмерное моделирование зарядового обмена ионов с металлическими поверхностями
• Quantum dynamics with the parallel transport gauge
• Time-parallel simulation of the Schrödinger equation
• An exponential integrator/WENO discretization for sonic-boom simulation on modern computer hardware
• QPC-TDSE: a parallel TDSE solver for atoms and small molecules in strong lasers
• ITVOLT: an iterative solver for the time-dependent Schrödinger equation
• SQUIRREL: an open-source software suite for quantum dynamics calculations on complex geometries with time-dependent electric/magnetic fields
• A fast and robust computational method for the ionization cross sections of the driven Schrödinger equation using an \(\mathcal{O}(N)\) multigrid-based scheme
• An OpenCL implementation for the solution of the time-dependent Schrödinger equation on GPUs and CPUs
• A parallel algorithm for solving the 3D Schrödinger equation

Describes a project that uses

Uses Software

• TDSE Solver

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