Related papers: Efficient and Deterministic Propagation of Mixed Q…
It is well-known that the Liouville equation of statistical mechanics is restricted to systems where the total number of particles (N) is fixed. In this paper, we show how the Liouville equation can be extended to systems where the number…
Accurate and efficient methods to simulate nonadiabatic and quantum nuclear effects in high-dimensional and dissipative systems are crucial for the prediction of chemical dynamics in condensed phase. To facilitate effective development,…
In this work simple and effective quantization procedure of classical dynamical systems is proposed and illustrated by a number of examples. The procedure is based entirely on differential equations which describe time evolution of systems.
Just like decent classical difference-difference systems define symplectic maps on suitable phase spaces, their counterparts with properly ordered noncommutative entries come as Heisenberg equations of motion for corresponding quantum…
The emerging field of quantum simulation of many-body systems is widely recognized as a very important application of quantum computing. A crucial step towards its realization in the context of many-electron systems requires a rigorous…
A general procedure to get the explicit solution of the equations of motion for N-body classical Hamiltonian systems equipped with coalgebra symmetry is introduced by defining a set of appropriate collective variables which are based on the…
Based on a Liouville-space formulation of open systems, we present two methods to solve the quantum dynamics of coupled harmonic oscillators experiencing Markovian loss. Starting point is the quantum master equation in Liouville space which…
In this paper, we extend a method recently reported [Phys. Rev. E 87, 042921 (2012)] for the calculation of the eigestates of classically highly chaotic systems to cases of mixed dynamics, i.e. those presenting regular and irregular motions…
We discuss the simulation of a complex dynamical system, the so-called quantum sawtooth map model, on a quantum computer. We show that a quantum computer can be used to efficiently extract relevant physical information for this model. It is…
We present solutions to the classical Liouville equation for ergodic and completely integrable systems - systems that are known to attain equilibrium. Ergodic systems are known to thermal equilibrate with a Maxwell-Boltzmann distribution…
The dynamics of open quantum systems is formulated in a minimally extended state space comprising the degrees of freedom of a system of interest and a finite set of non-unitary, pure-state reservoir modes. This formal structure, derived…
The quantum dynamics of open many-body systems poses a challenge for computational approaches. Here we develop a stochastic scheme based on the positive P phase-space representation to study the nonequilibrium dynamics of coupled spin-boson…
Quantum machine learning (QML) has emerged as an innovative framework with the potential to uncover complex patterns by leveraging quantum systems ability to simulate and exploit high-dimensional latent spaces, particularly in learning…
We describe our recent proposal of a path integral formulation of classical Hamiltonian dynamics. Which leads us here to a new attempt at hybrid dynamics, which concerns the direct coupling of classical and quantum mechanical degrees of…
We present a new hybrid lattice-Boltzmann and Langevin molecular dynamics scheme for simulating the dynamics of suspensions of spherical colloidal particles. The solvent is modeled on the level of the lattice-Boltzmann method while the…
An alternative methodology to investigate indirect polyatomic processes with quasi-classical trajectories is proposed, which effectively avoids any binning or weighting procedure while provides rovibrational resolution. Initial classical…
We investigate the relevance of dynamic quantum coherence in the energy transfer efficiency of molecular aggregates. We contrast the dynamics after excitation of a quantum mechanical system with that of a classical system. We demonstrate…
We present a novel method for the simulation of the vibration-induced autoionization dynamics in molecular anions in the framework of the quantum-classical surface hopping approach. Classical trajectories starting from quantum initial…
A novel quantum algorithm for solving the Boltzmann-Maxwell equations of the 6D collisionless plasma is proposed. The equation describes the kinetic behavior of plasma particles in electromagnetic fields and is known for the classical…
Understanding the dynamics of open quantum many-body systems is a major problem in quantum matter. Specifically, efficiently solving the spectrum of the Liouvillian superoperator governing such dynamics remains a critical open challenge.…