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Quantum dynamics, typically expressed in the form of a time-dependent Schr\"odinger equation with a Hermitian Hamiltonian, is a natural application for quantum computing. However, when simulating quantum dynamics that involves the emission…
The previously applied independent atom model (IAM) for highly charged ion-molecule collisions which implemented the suppression of multiple ionization and capture on the basis of geometric overlaps of cross-sectional areas representing…
Vibronic coupling has a dramatic influence over a large number of molecular processes, ranging from photo-chemistry, to spin relaxation and electronic transport. The simulation of vibronic coupling with multi-reference wavefunction methods…
Recently Rydberg atom-ion bound states have been observed using a high resolution ion microscope (Nature 605, 453 (2022)) and the corresponding vibrational dynamics has been spectroscopically analyzed. The atom-ion bond is created by an…
Self-oscillating systems, described in classical dynamics as limit cycles, are emerging as canonical models for driven dissipative nonequilibrium open quantum systems, and as key elements in quantum technology. We consider a family of…
This paper describes a method to do ab initio molecular dynamics in electronically excited systems within the random phase approximation (RPA). Using a dynamical variational treatment of the RPA frequency, which corresponds to the…
We investigate the dynamics of interacting electrons confined to two types of quantum dot system, when driven by an external AC field. We first consider a system of two electrons confined to a pair of coupled quantum dots by using an…
We reveal a wealth of nonlinear and recoil effects in the interaction between individual low-energy electrons and samples comprising a discrete number of states. Adopting a quantum theoretical description of combined free-electron and…
The dynamic electron-ion collisions play an important rolein determining the static and transport properties of warmdense matter (WDM). Electron force field (eFF) method is applied to study the ionic transport properties of warm…
We examine the impact of the intrinsic molecular reorganization energy on switching in two-state quantum-dot cellular automata (QCA) cells. Switching a bit involves an electron transferring between charge centers within the molecule. This…
Non-autonomous dynamical systems appear in a very wide range of interesting applications, both in classical and quantum dynamics, where in the latter case it corresponds to having a time-dependent Hamiltonian. However, the quantum…
Calculations of highly excited and delocalized molecular vibrational states are computationally challenging tasks, which strongly depends on the choice of coordinates for describing vibrational motions. We introduce a new method that…
We investigate how short and long electron trajectory contributions to high harmonic emission and their interferences give access to intra-molecular dynamics. In the case of unaligned molecules, we show experimental evidences that the long…
In this Thesis we study the quantum to classical transition process in the context of quantum mechanics and quantum field theory. We shall analyze the effects that general environments, namely ohmic and non-ohmic, at zero and high…
The quantum behavior of a precooled cantilever can be probed highly efficiently by coupling to a trapped ultracold ion, in which a fast cooling of the cantilever down to the ground vibrational state is possible. We solve the dynamics of the…
Self-propelling active matter relies on the conversion of energy from the undirected, nanoscopic scale to directed, macroscopic motion. One of the challenges in the design of synthetic active matter lies in the control of dynamic states, or…
This paper presents the first experimental evidence of the transition from dynamical localization to delocalization under the influence of a quasi-periodic driving on a quantum system. A quantum kicked rotator is realized by placing cold…
We propose a method to interpolate dynamics of von Neumann and classical master equations with an arbitrary mixing parameter to investigate the thermal effects in quantum dynamics. The two dynamics are mixed by intervening to continuously…
In this manuscript, we present a general and exact method for classicalizing the dynamics of any $N$-level quantum system, transforming quantum evolution into a classical-like framework using the geometry of complex projective spaces…
We develop a hybrid semiclassical method to study the time evolution of one dimensional quantum systems in and out of equilibrium. Our method handles internal degrees of freedom completely quantum mechanically by a modified time evolving…