Related papers: Optimal control with non-adiabatic Molecular Dynam…

We derive the fundamental equations of an optimal control theory for systems containing both quantum electrons and classical ions. The system is modeled with Ehrenfest dynamics, a non-adiabatic variant of molecular dynamics. The general…

Optimal control techniques combined with femtosecond laser pulse shaping are applied to steer and enhance the strong-field induced emission of highly charged atomic ions from silver clusters embedded in helium nanodroplets. With light…

We present some approaches to the computation of ultra-fast laser pulses capable of selectively breaking molecular bonds. The calculations are based on a mixed quantum-classical description: The electrons are treated quantum mechanically…

In this work, we investigate how and to which extent a quantum system can be driven along a prescribed path in Hilbert space by a suitably shaped laser pulse. To calculate the optimal, i.e., the variationally best pulse, a properly defined…

In recent experiments on ultracold matter, molecules have been produced from ultracold atoms by photoassociation, Feshbach resonances, and three-body recombination. The created molecules are translationally cold, but vibrationally highly…

In this work, we extend the quantum optimal control theory of molecules subject to ultrashort laser pulses to the case of solvated systems, explicitly including the solvent dielectric properties in the system Hamiltonian. A reliable…

The strong influence of the electron dynamics provides the possibility of controlling the expansion of laser-produced plasmas by appropriately shaping the laser pulse. A simple irradiation scheme is proposed to tailor the explosion of large…

We study the efficiency of modulated laser pulses to produce efficient and fast charge localization transitions in a two-electron double quantum dot. We use a configuration interaction method to calculate the electronic structure of a…

In this paper we examine the behavior of small cluster of atoms in a short (10-50 fs) very intense hard x-ray (10 keV) pulse. We use numerical modeling based on the non-relativistic classical equation of motion. Quantum processes are taken…

Quantum Optimal Control Theory (QOCT) provides the necessary tools to theoretically design driving fields capable of controlling a quantum system towards a given state or along a prescribed path in Hilbert space. This theory must be…

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…

The control of quantum dynamics via specially tailored laser pulses is a long-standing goal in physics and chemistry. Partly, this dream has come true, as sophisticated pulse shaping experiments allow to coherently control product ratios of…

We present a complete analysis of the laser control of a model molecular system using both optimal control theory and adiabatic techniques. This molecule has a particular potential energy surface with a bifurcating region connecting three…

We combined adaptive closed-loop optimization, phase-shaping with a restricted search space and imaging to control dynamics and decipher the optimal pulse. The approach was applied to controlling the amplitude of CO$_2$ bending vibration…

The ion phase-space dynamics in the Coulomb explosion of very large ($\sim 10^6 - 10^7$ atoms) deuterium clusters can be tailored using two consecutive laser pulses with different intensities and an appropriate time delay. For suitable sets…

At the core of attosecond science lies the ability to generate laser pulses of sub-femtosecond duration. In tabletop devices the process relies on high-harmonic generation, where a major challenge is to obtain high yields and high cutoff…

This work explores the relationship between optimal control theory and adiabatic passage techniques in quantum systems. The study is based on a geometric analysis of the Hamiltonian dynamics constructed from the Pontryagin Maximum…

The ability to characterise a Hamiltonian with high precision is crucial for the implementation of quantum technologies. In addition to the well-developed approaches utilising optimal probe states and optimal measurements, the method of…

Fragmentation dynamics in the Coulomb explosion of hydrocarbons, specifically methane, ethane, propane, and butane, are investigated using time dependent density functional theory (TDDFT) simulations. The goal of this work is to elucidate…

We demonstrate, numerically, the possibility of manipulating the spin states of molecular nanomagnets with shaped microwave pulses designed with quantum optimal control theory techniques. The state-to-state or full gate transformations can…