Related papers: A Semiclassical Framework for Mixed Quantum Classi…
Several methods in nonadiabatic molecular dynamics are based on Madelung's hydrodynamic description of nuclear motion, while the electronic component is treated as a finite-dimensional quantum system. In this context, the quantum potential…
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
Quantum simulation can help us study poorly understood topics such as high-temperature superconductivity and drug design. However, existing quantum simulation algorithms for current quantum computers often have drawbacks that impede their…
Simulations of chemical dynamics are a powerful means for understanding chemistry. However, classical computers struggle to simulate many chemical processes, especially non-adiabatic ones, where the Born-Oppenheimer approximation breaks…
Quantum sensors driven into the quantum chaotic regime can have dramatically enhanced sensitivity, which, however, depends intricately on the details of the underlying classical phase space. Here, we develop an accurate semiclassical…
Digital quantum computers promise exponential speedups in performing quantum time-evolution, providing an opportunity to simulate quantum dynamics of complex systems in physics and chemistry. However, the task of extracting desired quantum…
We propose a hybrid quantum-classical algorithm for the simulation of real-time dynamics in interacting quantum field theories coupled to classical fields, focusing on the self-consistent estimation of semiclassical backreaction. By…
We present a mixed quantum-classical approach to strong-field ionization - a semiclassical two-step model with quantum input. In this model the initial conditions for classical trajectories that simulate electron wave packet after…
Semiclassical techniques have proven to be a very powerful method to extract physical effects from different quantum theories. Therefore, it is expected that in the near future they will play a very prominent role in the context of quantum…
A direct comparison of quantum and classical dynamical systems can be accomplished through the use of distribution functions. This is useful for both fundamental investigations such as the nature of the quantum-classical transition as well…
A nonlinear dynamics semi-classical model is used to show that standard quantum spin analysis can be obtained. The model includes a classically driven nonlinear differential equation with dissipation and a semi-classical interpretation of…
We present a comprehensive end-to-end framework for simulating the real-time dynamics of chemical systems on a fault-tolerant quantum computer, incorporating both electronic and nuclear quantum degrees of freedom. An all-particle simulation…
Path integral-based simulation methodologies play a crucial role for the investigation of nuclear quantum effects by means of computer simulations. However, these techniques are significantly more demanding than corresponding classical…
The usual semiclassical approximation for atom-field dynamics consists in substituting the field operators by complex numbers related to the (supposedly large enough) intensity of the field. We show that a semiclassical evolution for…
Quantum fluid (or hydrodynamic) models provide an attractive alternative for the modeling and simulation of the electron dynamics in nano-scale objects. Compared to more standard approaches, such as density functional theory or phase-space…
Given a quantum Hamiltonian, we explain how the dynamical properties of the underlying classical system affect the behaviour of quantum eigenstates in the semi-classical limit. We study this problem via the notion of semiclassical measures.…
Semiclassical methods are essential in analyzing quantum mechanical systems. Although they generally produce approximate results, relatively rare potentials exist for which these methods are exact. Such intriguing potentials serve as…
This paper deals with the critical issue of approximating the pre-exponential factor in semiclassical molecular dynamics. The pre-exponential factor is important because it accounts for the quantum contribution to the semiclassical…
This work addresses the challenge of enabling practitioners without quantum expertise to transition from classical to hybrid quantum-classical machine learning workflows. We propose a three-stage framework: starting with a classical…
We present several recent results concerning the transition between quantum and classical mechanics, in the situation where the underlying dynamical system has an hyperbolic behaviour. The special role of invariant manifolds will be…