Related papers: Optimal control theory for quantum-classical syste…
We show that quantum optimal control theory (OCT) and time-dependent density-functional theory (TDDFT) can be combined to provide realistic femtosecond laser pulses for an enhanced ionization yield in many-electron systems. Using the…
We consider the interaction dynamics of a classical oscillator and a quantum two-level system for different pure-dephasing Hamiltonians of the type $\widehat{H}(q,p)=H_C(q,p)\boldsymbol{1}+H_I(q,p)\widehat\sigma_z$. This type of systems…
Finite-dimensional dissipative dynamical systems with multiple time-scales are obtained when modeling chemical reaction kinetics with ordinary differential equations. Such stiff systems are computationally hard to solve and therefore,…
We find that the quantum-classical correspondence in integrable systems is characterized by two time scales. One is the Ehrenfest time below which the system is classical; the other is the quantum revival time beyond which the system is…
Active control of quantum systems enables diverse applications ranging from quantum computation to manipulation of molecular processes. Maximum speeds and related bounds have been identified from uncertainty principles and related…
Energy loss in collisions of charged projectiles with many-electron systems can be dealt with in time-dependent density functional theory by invoking Ehrenfest's theorem for the time evolution of expectation values of observables. We derive…
This is the first of a series of papers in which a new formulation of quantum theory is developed for totally constrained systems, that is, canonical systems in which the hamiltonian is written as a linear combination of constraints…
Molecular dynamics simulations are indispensable for exploring the behavior of atoms and molecules. Grounded in quantum mechanical principles, quantum molecular dynamics provides high predictive power but its computational cost is dominated…
Ehrenfest theorem is proven in relativistic quantum theory of charged particles, moving under the influence of an external electromagnetic field. In order to extend the classic Ehrenfest result to the relativistic domain we bypassed the…
A powerful method of manipulating the dynamics of quantum coherent particles is to control the phase of their tunneling. We consider a system of two electrons hopping on a quasi one-dimensional lattice in the presence of a uniform magnetic…
Quantum optimal control theory (QOCT) aims at finding an external field that drives a quantum system in such a way that optimally achieves some predefined target. In practice this normally means optimizing the value of some observable, a so…
Optimal control theory deals with finding protocols to steer a system between assigned initial and final states, such that a trajectory-dependent cost function is minimized. The application of optimal control to stochastic systems is an…
We have developed a novel multiscale computational scheme to describe coupled dynamics of light electromagnetic field with electrons and atoms in crystalline solids, where first-principles molecular dynamics based on time-dependent density…
Here we present an expanded analysis of a model for the manipulation and control of observables in a strongly correlated, many-body system, which was first presented in [McCaul et al., eprint: arXiv:1911.05006]. A field-free, non-linear…
We apply advanced methods of control theory to open quantum systems and we determine finite-time processes which are optimal with respect to thermodynamic performances. General properties and necessary conditions characterizing optimal…
Quantum many-body control is among most challenging problems in quantum science, due to computational complexity of related underlying problems. We propose an efficient approach for solving a class of control problems for many-body quantum…
Biological molecular machines convert free energy between different forms in cells, often at high efficiency. Optimal control theory provides a framework to elucidate design principles governing energetically efficient driving. Here, we use…
The efficient generation of highly nonclassical quantum states is essential for emerging quantum technologies, yet it remains challenging due to decoherence and the long preparation times associated with conventional adiabatic protocols.…
Time-dependent (current) density functional theory for many-electron systems strongly coupled to quantized electromagnetic modes of a microcavity is proposed. It is shown that the electron-photon wave function is a unique functional of the…
Quantum optimal control theory is becoming increasingly crucial as quantum devices become more precise, but the need to quickly optimize these systems classically remains a significant bottleneck in their operation. Here we present a new…