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

DOI10.1016/J.CPC.2017.01.020MaRDI QIDQ1685840zbMATH OpenOpenAlexFDO

Authors Alfio Borzì, Martin Sprengel, G. 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

Kohn-Sham modelnonlinear conjugate gradient schemeoperator splitting methodsoptimal control theorySchrödinger equationtime-dependent density functional theory

Mathematics Subject Classification ID

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

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Cites work

• \texttt{QUCON}: a fast Krylov-Newton code for dipole quantum control problems
• A globalized Newton method for the accurate solution of a dipole quantum control problem
• A LONE code for the sparse control of quantum systems
• A New Conjugate Gradient Method with Guaranteed Descent and an Efficient Line Search
• A theoretical investigation of time-dependent Kohn-Sham equations
• Analysis of exponential splitting methods for inhomogeneous parabolic equations
• Computational optimization of systems governed by partial differential equations
• Computational techniques for a quantum control problem with H ¹ -cost
• Density functional theory. An advanced course.
• scientific article; zbMATH DE number 5703572 (Why is no real title available?)
• On time-splitting spectral approximations for the Schrödinger equation in the semiclassical regime
• Quantum optimal control using the adjoint method
• Time dependent closed quantum systems: nonlinear Kohn-Sham potential operators and weak solutions
• Time-dependent density functional theory

Cited in

(16)

• A sequential quadratic Hamiltonian scheme for solving non-smooth quantum control problems with sparsity
• Stabilization for Schrödinger equation with internal damping and boundary disturbance
• COKOSNUT
• A theoretical investigation of time-dependent Kohn-Sham equations: new proofs
• Optimal Control for Semiconductor Diode Design based on the MEP Energy-Transport Model
• New optimal control problems in density functional theory motivated by photovoltaics
• \texttt{QUCON}: a fast Krylov-Newton code for dipole quantum control problems
• Selective and robust time-optimal rotations of spin systems
• NIC-CAGE: an open-source software package for predicting optimal control fields in photo-excited chemical systems
• On a neural network approach for solving potential control problem of the semiclassical Schrödinger equation
• \texttt{qocttools}: a program for quantum optimal control calculations
• 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
• MISTER-T: an open-source software package for quantum optimal control of multi-electron systems on arbitrary geometries
• Stability of the transmission Schrödinger equation with a delay term in the boundary feedback
• Investigation of optimal control problems governed by a time-dependent Kohn-Sham model

Describes a project that uses

Uses Software

• Matlab

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