相关论文: Real time quantum dynamics preaveraged over imagin…

The properties of molecules and materials containing light nuclei are affected by their quantum mechanical nature. Modelling these quantum nuclear effects accurately requires computationally demanding path integral techniques. Considerable…

Two-dimensional Raman and hybrid terahertz/Raman spectroscopic techniques provide invaluable insight into molecular structure and dynamics of condensed-phase systems. However, corroborating experimental results with theory is difficult due…

We describe a fast implementation of the quasi-centroid molecular dynamics (QCMD) method in which the quasi-centroid potential of mean force is approximated as a separable correction to the classical interaction potential. This correction…

In this work, we propose a path integral-inspired formalism for computing the quantum thermal expectation values of spin systems, when subject to magnetic fields that can be time-dependent and can accommodate the presence of Heisenberg…

Imaginary-time evolution is fundamental for analyzing quantum many-body systems, yet classical simulation requires exponentially growing resources in both system size and evolution time. While quantum approaches reduce the system-size…

We propose a novel experimental protocol to measure generalized temporal entropies in many-body quantum systems. Our approach involves using local operators as probes to characterize the out-of-equilibrium dynamics induced by a geometric…

We set up a real-time path integral to study the evolution of quantum systems driven in real-time completely by the coupling of the system to the environment. For specifically chosen interactions, this can be interpreted as measurements…

We present a new reduced-order computational method for the molecular dynamics simulation of entangled polymer systems. The polymer chains are modeled as continuous Gaussian chains. Our algorithm is based on the application of the molecular…

A new approach for integration of motion in many-body systems of interacting polyatomic molecules is proposed. It is based on splitting time propagation of pseudo-variables in a modified phase space, while the real translational and…

The fundamental question of how to best simulate quantum systems using conventional computational resources lies at the forefront of condensed matter and quantum computation. It impacts both our understanding of quantum materials and our…

Quantum Molecular Dynamics (QMD) calculations of central collisions between heavy nuclei are used to study fragment production and the creation of collective flow. It is shown that the final phase space distributions are compatible with the…

This work develops a rigorous framework for analysing ergodicity and mixing in time-inhomogeneous quantum dynamics. It considers quantum evolutions generated by sequences of quantum channels and examines in detail the relationship between…

The quantum thermal average plays a central role in describing the thermodynamic properties of a quantum system. Path integral molecular dynamics (PIMD) is a prevailing approach for computing quantum thermal averages by approximating the…

On the basis of the closed-time path formalism of non-equilibrium quantum field theory, we derive the real-time quantum dynamics of heavy quark systems. Even though our primary goal is the description of heavy quarkonia, our method allows a…

The path integral approach offers not only an exact expression for the non- equilibrium dynamics of dissipative quantum systems, but is also a convenient starting point for perturbative treatments. An alternative way to explore the…

A real-time path integral Monte Carlo approach is developed to study the dynamics in a many-body quantum system until reaching a nonequilibrium stationary state. The approach is based on augmenting an exact reduced equation for the…

Statistics of classical Hamiltonian random walk of particle colliding with atoms of ideal gas is considered from viewpoint of earlier suggested exact pseudo-quantum path integral representation of the problem, and qualitative agreement is…

Time evolution of quantum tunneling is studied when the tunneling system is immersed in thermal medium. We analyze in detail the behavior of the system after integrating out the environment. Exact result for the inverted harmonic oscillator…

A promising application of neural-network quantum states is to describe the time dynamics of many-body quantum systems. To realize this idea, we employ neural-network quantum states to approximate the implicit midpoint rule method, which…

We introduce a general formalism, based on the stochastic formulation of quantum mechanics, to obtain localized quasi-classical wave packets as dynamically controlled systems, for arbitrary anharmonic potentials. The control is in general…