Related papers: Optimization Schemes for Selective Molecular Cleav…
Quantum optimal control theory is a powerful tool for engineering quantum systems subject to external fields such as the ones created by intense lasers. The formulation relies on a suitable definition for a target functional, that…
In this paper, we present a unified computational method based on pseudospectral approximations for the design of optimal pulse sequences in open quantum systems. The proposed method transforms the problem of optimal pulse design, which is…
We investigate dynamics of atomic and molecular systems exposed to intense, shaped chaotic fields and a weak femtosecond laser pulse theoretically. As a prototype example, the photoionization of a hydrogen atom is considered in detail. The…
Precision measurements in molecules have advanced rapidly in recent years through developments in techniques to cool, trap, and control. The complexity of molecules makes them a challenge to study, but also offers opportunities for enhanced…
Optimal control theory is usually formulated as an indirect method requiring the solution of a two-point boundary value problem. Practically, the solution is obtained by iterative forward and backward propagation of quantum wavepackets.…
Applying optimal control algorithms on realistic quantum systems confronts two key challenges: to efficiently adopt physical constraints in the optimization and to minimize the variables for the convenience of experimental tune-ups. In…
Currently, machine learning (ML) methods are widely used to process the results of physical experiments. In some cases, due to the limited amount of experimental data, ML-models can be pre-trained on synthetic data simulated based on the…
We utilize genetic algorithms to find optimal dynamical decoupling (DD) sequences for a single-qubit system subjected to a general decoherence model under a variety of control pulse conditions. We focus on the case of sequences with equal…
Photoassociation of ultracold atoms is shown to lead to alignment of the product molecules along the excitation laser polarization axis. We theoretically investigate pulsed photoassociation of $^{87}Rb$ atoms into a specific weakly-bound…
A common way to manipulate a quantum system, for example spins or artificial atoms, is to use properly tailored control pulses. In order to accomplish quantum information tasks before coherence is lost, it is crucial to implement the…
We use Bayesian optimization in combination with three-dimensional particle-in-cell simulations to determine the optimal laser and plasma parameters that, for a given laser pulse energy, maximize the cut-off energy of an electron beam…
We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…
In the burgeoning field of quantum computing, the precise design and optimization of quantum pulses are essential for enhancing qubit operation fidelity. This study focuses on refining the pulse engineering techniques for superconducting…
We introduce a new scheme for controlling the sense of molecular rotation. By varying the polarization and the delay between two ultrashort laser pulses, we induce unidirectional molecular rotation, thereby forcing the molecules to rotate…
It is known that rare-gas or metal clusters absorb incident laser energy very efficiently. However, due to the intricate dependencies on all the laser and cluster parameters it is difficult to predict under which circumstances ionization…
We optimize the pulse shape and polarization of time-dependent electric fields to maximize the production of electron-positron pairs via strong field quantum electrodynamics processes. The pulse is parametrized in Fourier space by a…
The tomographic imaging of arbitrary molecular orbitals via high-order harmonic generation requires that electrons recollide from one direction only. Within a semi-classical model, we show that extremely short phase-stabilized laser pulses…
Recording molecular movies on ultrafast timescales has been a longstanding goal for unravelling detailed information about molecular dynamics. We present the direct experimental recording of very-high-resolution and -fidelity molecular…
Numerical modeling of electromagnetic waves is an important tool for understanding the interaction of light and matter, and lies at the core of computational electromagnetics. Traditional approaches to injecting and evolving electromagnetic…
Ultrafast optical techniques allow to study ultrafast molecular dynamics involving both nuclear and electronic motion.To support interpretation, theoretical approaches are needed that can describe both the nuclear and electron…