Related papers: Optimal control theory for quantum-classical syste…
Ehrenfest and Car-Parrinello molecular dynamics are computational alternatives to approximate Born-Oppenheimer molecular dynamics without solving the electron eigenvalue problem at each time-step. A non-trivial issue is to choose the…
We propose a practical approximation to the exchange-correlation functional of (time-dependent) density functional theory for many-electron systems coupled to photons. The (time non-local) optimized effective potential (OEP) equation for…
We try to improve the Thomas-Fermi model for the total energy and electron density of atoms and molecules by directly modifying the Euler equation for the electron density, which we argue is less affected by nonlocal corrections. Here we…
We present in detail the recently derived ab-initio molecular dynamics (AIMD) formalism [Phys. Rev. Lett. 101 096403 (2008)], which due to its numerical properties, is ideal for simulating the dynamics of systems containing thousands of…
Optimal control theory is developed for the task of obtaining a primary objective in a subspace of the Hilbert space while avoiding other subspaces of the Hilbert space. The primary objective can be a state-to-state transition or a unitary…
This article provides a review of recent developments in the formulation and execution of optimal control strategies for the dynamics of quantum systems. A brief introduction to the concept of optimal control, the dynamics of of open…
We consider the optimal control of quantum systems interacting non-linearly with an electromagnetic field. We propose new monotonically convergent algorithms to solve the optimal equations. The monotonic behavior of the algorithm is ensured…
In this study, we theoretically analyzed a control protocol based on ``time-dependent resonance" in nearly adiabatic two-level quantum systems, demonstrating that it exhibits properties equivalent to adiabatic control. This protocol is…
We study quantum control of the full hyperfine manifold in the ground-electronic state of alkali atoms based on applied radio frequency and microwave fields. Such interactions should allow essentially decoherence-free dynamics and the…
Using the quantum effective action in the Schwinger-Keldysh formalism, we derive quantum corrections to the semiclassical Langevin dynamics of a dissipative system governed by a macroscopic degree of freedom. We discuss the connection with…
Optimal control theory is a powerful tool for improving figures of merit in quantum information tasks. Finding the solution to any optimal control problem via numerical optimization depends crucially on the choice of the optimization…
An analysis of the motion of a relativistic electron under a linear constraint in four dimensions is presented. Interesting results are given that show that the state of the electron is well defined under the formalism of time optimal…
Quantum coherence inherently affects the dynamics and the performances of a quantum machine. Coherent control can, at least in principle, enhance the work extraction and boost the velocity of evolution in an open quantum system. Using…
We benchmark a set of quantum-chemistry methods, including multitrajectory Ehrenfest, fewest-switches surface-hopping, and multiconfigurational-Ehrenfest dynamics, against exact quantum-many-body techniques by studying real-time dynamics in…
Implementing fast and high-fidelity quantum operations using open-loop quantum optimal control relies on having an accurate model of the quantum dynamics. Any deviations between this model and the complete dynamics of the device, such as…
Optimal control theory is an effective tool to improve parameter estimation of quantum systems. Different methods can be employed for the design of the control protocol. They can be based either on Quantum Fischer Information (QFI)…
Optimal control theory is implemented with fully converged hierarchical equations of motion (HEOM) describing the time evolution of an open system density matrix strongly coupled to the bath in a spin-boson model. The populations of the…
A mathematically well-defined, manifestly covariant theory of classical and quantum field is given, based on Euclidean Poisson algebras and a generalization of the Ehrenfest equation, which implies the stationary action principle. The…
We review properties of open chaotic mesoscopic systems with a finite Ehrenfest time tau_E. The Ehrenfest time separates a short-time regime of the quantum dynamics, where wave packets closely follow the deterministic classical motion, from…
A new class of cost functionals for optimal control of quantum systems which produces controls which are sparse in frequency and smooth in time is proposed. This is achieved by penalizing a suitable time-frequency representation of the…