A COKOSNUT code for the control of the time-dependent Kohn-Sham model

DOI10.1016/j.cpc.2017.01.020zbMath1376.93047OpenAlexW2587153367MaRDI QIDQ1685840

Alfio Borzì, Martin Sprengel, Gabriele Ciaramella

Publication date: 20 December 2017

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2017.01.020

zbMATH Keywords

Schrödinger equationoptimal control theorytime-dependent density functional theoryoperator splitting methodsKohn-Sham modelnonlinear conjugate gradient scheme

Mathematics Subject Classification ID

Control/observation systems governed by partial differential equations (93C20) Applications of optimal control and differential games (49N90) Many-body theory; quantum Hall effect (81V70)

Related Items (11)

Optimal Control for Semiconductor Diode Design based on the MEP Energy-Transport Model ⋮ NIC-CAGE: an open-source software package for predicting optimal control fields in photo-excited chemical systems ⋮ Stabilization for Schrödinger equation with internal damping and boundary disturbance ⋮ On a neural network approach for solving potential control problem of the semiclassical Schrödinger equation ⋮ TRAVOLTA: GPU acceleration and algorithmic improvements for constructing quantum optimal control fields in photo-excited systems ⋮ Efficient manipulation of Bose-Einstein condensates in a double-well potential ⋮ Investigation of optimal control problems governed by a time-dependent Kohn-Sham model ⋮ A theoretical investigation of time-dependent Kohn–Sham equations: new proofs ⋮ A sequential quadratic Hamiltonian scheme for solving non-smooth quantum control problems with sparsity ⋮ COKOSNUT ⋮ Selective and robust time-optimal rotations of spin systems

Uses Software

• Matlab

Cites Work

• Unnamed Item
• \texttt{QUCON}: a fast Krylov-Newton code for dipole quantum control problems
• Density functional theory. An advanced course.
• On time-splitting spectral approximations for the Schrödinger equation in the semiclassical regime
• Time dependent closed quantum systems: nonlinear Kohn-Sham potential operators and weak solutions
• A LONE code for the sparse control of quantum systems
• Time-dependent density functional theory
• Quantum optimal control using the adjoint method
• A Globalized Newton Method for the Accurate Solution of a Dipole Quantum Control Problem
• Computational Optimization of Systems Governed by Partial Differential Equations
• Computational techniques for a quantum control problem with H ¹ -cost
• Analysis of exponential splitting methods for inhomogeneous parabolic equations
• A New Conjugate Gradient Method with Guaranteed Descent and an Efficient Line Search
• A Theoretical Investigation of Time-Dependent Kohn--Sham Equations

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