Related papers: Numerical Simulations of Free Radical Reactions
The hydrodynamic interpretation of quantum mechanics treats a system of particles in an effective manner. In this work, we investigate squeezed coherent states within the hydrodynamic interpretation. The Hamiltonian operator in question is…
Quantum computing employs controllable interactions to perform sequences of logical gates and entire algorithms on quantum registers. This paradigm has been widely explored, e.g., for simulating dynamics of manybody systems by decomposing…
Simulating and predicting dynamics of quantum many-body systems is extremely challenging, even for state-of-the-art computational methods, due to the spread of entanglement across the system. However, in the long-wavelength limit, quantum…
This paper studies the energy decoherence of an interacting quantum system. It first reviews the experiments that motivated the postulates of quantum mechanics. It then discusses a decoherence that occurs dynamically in a closed system.…
Hybrid-kinetic simulations describe ion-scale kinetic phenomena in space plasmas by considering ions kinetically, i.e. as particles, while electrons are modelled as a fluid. Most of the existing hybrid-kinetic codes neglect the electron…
Often quantum systems are not isolated and interactions with their environments must be taken into account. In such open quantum systems these environmental interactions can lead to decoherence and dissipation, which have a marked influence…
I present an explicit classical simulation of arbitrary quantum noise for quantum models in which one qubit interacts with a quantum bath. The classical model simulates the interaction of the bath and the qubit by random unitary evolutions.…
A novel quantum dynamical method to simulate vibronic reaction dynamics in molecules at metal surfaces is proposed. The method is based on the hierarchical quantum master equation approach and uses a discrete variable representation of the…
Studies of strongly nonlinear dynamical systems such as turbulent flows call for superior computational prowess. With the advent of quantum computing, a plethora of quantum algorithms have demonstrated, both theoretically and…
We model the dynamics of a closed quantum system brought out of mechanical equilibrium, undergoing a non-driven, spontaneous, thermodynamic transformation. In particular, we consider a quantum particle in a box with a moving and insulating…
We study quantum dynamics in the framework of repeated interactions between a system and a stream of identical probes. We present a coarse-grained master equation that captures the system's dynamics in the natural regime where interactions…
The dynamics of a quantum system following a sudden, highly non-adiabatic change of its control parameter (quantum quench) is studied with quasiclassical techniques. Recent works have shown, using exact quantum mechanical approach, that…
At room temperature, the quantum contribution to the kinetic energy of a water molecule exceeds the classical contribution by an order of magnitude. The quantum kinetic energy (QKE) of a water molecule is modulated by its local chemical…
The principle of energy conservation leads to a generalized choice of transition probability in a piecewise adiabatic representation of quantum(-classical) dynamics. Significant improvement (almost an order of magnitude, depending on the…
The simulation of ion-atom collisions remains a formidable challenge due to the complex interplay between electronic and nuclear degrees of freedom. We present a hybrid quantum-classical computing framework for simulating time-dependent…
In this paper we introduce a simple procedure for computing the macroscopic quantum behaviour of periodic quantum systems in the high energy regime. The macroscopic quantum coherence is ascribed to a one-particle state, not to a condensate…
Many claims of computational advantages have been made for quantum computing over classical, but they have not been demonstrated for practical problems. Here, we present algorithms for solving time-dependent PDEs, with particular reference…
Estimating transition rates in open quantum systems is hampered by computing-resource demands that grow rapidly with system size. We present a quantum-simulation framework that enables efficient estimation by recasting the transition rate,…
In many situations, one can approximate the behavior of a quantum system, i.e. a wave function subject to a partial differential equation, by effective classical equations which are ordinary differential equations. A general method and…
This thesis deals with the study of dynamical properties of out-of-equilibrium quantum systems. We introduce in particular a general class of Spin-Boson models, which describe for example light-matter interaction or dissipative phenomena.…