相关论文: Koopman--von Neumann Molecular Dynamics for Green-…

The Koopman-von Neumann (KvN) formalism recasts classical mechanics in a Hilbert space framework using complex wavefunctions and linear operators, akin to quantum mechanics. Instead of evolving probability densities in phase space (as in…

The Koopman--von Neumann (KvN) formulation of spectrally truncated fluid and plasma dynamics is considered as a potential approach for quantum computation. The KvN framework embeds the Liouville equation into a Hilbert space with…

We explore electron transport through a quantum dot coupled to the source and drain charge reservoirs We trace the transition from the Coulomb blockade regime to Kondo regime in the electron transport through the dot occuring when we…

Quantum computers can be used to simulate nonlinear non-Hamiltonian classical dynamics on phase space by using the generalized Koopman-von Neumann formulation of classical mechanics. The Koopman-von Neumann formulation implies that the…

While the vast majority of calculations reported on molecular conductance have been based on the static non-equilibrium Green's function formalism combined with density functional theory, in recent years a few time-depedent approaches to…

Based on density functional theory (DFT), we have developed algorithms and a program code to investigate the electron transport characteristics for a variety of nanometer scaled devices in the presence of an external bias voltage. We…

The study of mathematical connections between operator-theoretic formulations of classical dynamics and quantum mechanics began at least as early as the 1930s in work of Koopman and von Neumann and was developed in later decades by many…

This work is to consolidate current literature on Koopman-von Neumann (KvN) Mechanics into a simple and easy to understand text. KvN Mechanics is a branch of Classical Mechanics that has been recast into the mathematical language of Quantum…

While it is well-known that quantum mechanics can be reformulated in terms of a path integral representation, it will be shown that such a formulation is also possible in the case of classical mechanics. From Koopman-von Neumann theory,…

A recently introduced particle-based model for fluid flow, called Stochastic Rotation Dynamics, can be made Galilean invariant by introducing a random shift of the computational grid before collisions. In this paper, it is shown how the…

One of the fundamental problems in physics which are not rigorously solved yet is the statistical mechanics of nonequilibrium processes. An important contribution to describe irreversible behavior starting from reversible Hamiltonian…

The Koopman-von Neumann equation describes the evolution of wavefunctions associated with autonomous ordinary differential equations and can be regarded as a quantum physics-inspired formulation of classical mechanics. The main advantage…

We derive an exact quantum equation of motion for the photon Wigner operator in non-commutative QED, which is gauge covariant. In the classical approximation, this reduces to a simple transport equation which describes the hard thermal…

Nelson's stochastic mechanics links quantum mechanics to an underlying Brownian motion with the identification $\hbar = m\sigma$. Ghose's interpolating equation introduces a continuous parameter $\lambda$ that suppresses the quantum…

We present generalized Green-Kubo expressions for thermal transport coefficients $\mu$ in non-conservative fluid-type systems, of the generic form, $\mu$ $= \mu_\infty$ $+\int^\infty_0 dt V^{-1} \av{I_\epsilon \exp(t {\cal L}) I}_0$ where…

We propose a gate-based quantum algorithm for the prediction step of Bayesian state estimation based on the Fokker-Planck equation on a discretized position-velocity state space. The probability density is encoded in the amplitudes of a…

Transverse momentum integrated multiplicities in the central region of pp collisions at LHC energies satisfy Koba-Nielsen-Olesen scaling. We attempt to relate this finding to multiplicity distributions of soft gluons. KNO scaling emerges if…

We deal with the reversible dynamics of coupled quantum and classical systems. Based on a recent proposal by the authors, we exploit the theory of hybrid quantum-classical wavefunctions to devise a closure model for the coupled dynamics in…

In molecular dynamics, transport coefficients measure the sensitivity of the invariant probability measure of the stochastic dynamics at hand with respect to some perturbation. They are typically computed using either the linear response of…

We construct a quantum-circuit framework for finite-temperature molecular dynamics in the canonical ensemble (NVT) with a Langevin thermostat, connecting canonical state preparation to subsequent physical-property readouts. The classical…