Related papers: Efficient and Deterministic Propagation of Mixed Q…
We develop an approach for understanding the dynamics of open quantum systems by analyzing individual quantum trajectories in the eigenbasis of the Liouvillian superoperator. From trajectory-eigenstate overlaps, we construct a…
A novel 3-D higher-order finite-difference time-domain framework with complex frequency-shifted perfectly matched layer for the modeling of wave propagation in cold plasma is presented. Second- and fourth-order spatial approximations are…
The nonequilibrium dynamics of coupled quantum oscillators subject to different time dependent quenches are analyzed in the context of the Liouville-von Neumann approach. We consider models of quantum oscillators in interaction that are…
Classical molecular dynamics simulation is performed mostly using the established velocity Verlet integrator or other symplectic propagation schemes. In this work, an alternative formulation of numerical propagators for classical molecular…
We discuss the viability of ensemble simulations of fluid flows on quantum computers. The basic idea is to formulate a functional Liouville equation for the probability distribution of the flow field configuration and recognize that, due to…
Quantum machine learning is emerging as a promising application of quantum computing due to its distinct way of encoding and processing data. It is believed that large-scale quantum machine learning demonstrates substantial advantages over…
A new model of nonlinear charged quantum relativistic fluids is presented. This model can be discretized into Discrete Time Quantum Walks (DTQWs), and a new hybrid (quantum-classical) algorithm for implementing these walks on NISQ devices…
Simulating nonlinear classical dynamics on a quantum computer is an inherently challenging task due to the linear operator formulation of quantum mechanics. In this work, we provide a systematic approach to alleviate this difficulty by…
We present a quantum-kinetic scheme for the calculation of non-equilibrium transport properties in nanoscale systems. The approach is based on a Liouville-master equation for a reduced density operator and represents a generalization of the…
We describe quantum and classical Hamiltonian dynamics in a common Hilbert space framework, that allows the treatment of mixed quantum-classical systems. The analysis of some examples illustrates the possibility of entanglement between…
Interacting spin-boson models encompass a large class of physical systems, spanning models with a single spin interacting with a bosonic bath -- a paradigm of quantum impurity problems -- to models with many spins interacting with a cavity…
The coupled-trajectory mixed quantum classical method (CTMQC), derived from the exact factorization approach, has successfully predicted photo-chemical dynamics in a number of interesting molecules, capturing population transfer and…
Thermodynamics of dissipative quantum systems with double-well potentials is studied by the path-integral Monte Carlo (PIMC) method without truncation to the two-state model. For efficient simulation at low temperatures, we develop a new…
Recently, an effective Lindblad master equation for quantum systems whose dynamics are coupled to dissipative bosonic modes has been introduced [Phys. Rev. Lett. 129, 063601 (2022)]. In this approach, the bosonic modes are adiabatically…
Accurate and efficient prediction of electronic wavefunctions is central to ab initio molecular dynamics (AIMD) and electronic structure theory. However, conventional ab initio methods require self-consistent optimization of electronic…
A multiscale QM/classical approach is presented, that is able to model the optical properties of complex nanostructures composed of a molecular system adsorbed on metal nanoparticles. The latter are described by a combined…
Dissipation and decoherence, and the evolution from pure to mixed states in quantum physics are handled through master equations for the density matrix. By embedding elements of this matrix in a higher-dimensional Liouville-Bloch equation,…
Non-Hermitian quantum systems exhibit unique properties and hold significant promise for diverse applications, yet their dynamical simulation poses a particular challenge due to intrinsic openness and non-unitary evolution. Here, we…
A new methodology is developed to integrate numerically the equations of motion for classical many-body systems in molecular dynamics simulations. Its distinguishable feature is the possibility to preserve, independently on the size of the…
The simulation of quantum dynamics on a digital quantum computer with parameterized circuits has widespread applications in fundamental and applied physics and chemistry. In this context, using the hybrid quantum-classical algorithm,…