Related papers: Nuclear Quantum Effects on the Vibrational Dynamic…
We investigate the structural and thermodynamic properties of high-pressure ice by incorporating quantum anharmonicity at a non-perturbative level. Quantum fluctuations reduce the critical pressure of the phase transition between phase VIII…
We investigate the impact of the quantum effects of protons on the electronic structure of high-pressure H$_3$S, a benchmark hydrogen-rich superconductor with a critical temperature ($T_c$) exceeding 200 K. Using Nuclear-Electronic Orbital…
We formulate a method for incorporating quantum fluctuations into molecular- dynamics simulations of many-body systems, such as those employed for energetic nuclear collision processes. Based on Fermi's Golden Rule, we allow spontaneous…
The flow of water in carbon nanochannels has defied understanding thus far, with accumulating experimental evidence for ultra-low friction, exceptionally high water flow rates, and curvature-dependent hydrodynamic slippage. These unique…
We argue that flows of the quantum electronic liquid in the Fractional Quantum Hall state are comprehensively described by the hydrodynamics of vortices in the quantum incompressible rotating liquid. We obtain the quantum hydrodynamics of…
Despite the inherently quantum mechanical nature of hydrogen bonding, it is unclear how nuclear quantum effects (NQEs) alter the strengths of hydrogen bonds. With this in mind, we use ab initio path integral molecular dynamics to determine…
Path-integral ab initio molecular dynamics (PI-AIMD) calculations have been employed to probe the nature of chloride ion solvation in aqueous solution. Nuclear quantum effects (NQEs) are shown to weaken hydrogen bonding between the chloride…
The impact of quantum fluctuations on the phase diffusion in resistively shunted superconducting quantum points subject to an external ac-voltage is studied. Based on an extension of the classical Smoluchowski equation to the quantum…
We assess how quantum-mechanical effects associated with high-frequency chromophore vibrations influence excitation energy transfer in biological light-harvesting complexes. We begin with a mixed quantum-classical theory that combines a…
Dynamics of fluctuations in unstable Bose-Einstein condensates is analyzed by the solution of approximate operator equations. In the case of a condensate with a negative scattering length the present treatment describes a delay of collapse,…
A first-principles treatment of the vibrational dynamics of molecular chemisorbates on metal surfaces is presented. It is shown that the mean field quantum evolution of the vibrational position operator is determined by a quantum Langevin…
We discuss quantum effects in the diffusion process which is used to describe the shape evolution from the touching configuration of fusing two nuclei to a compound nucleus. Applying the theory with quantum effects to the case where the…
Quantum fluctuations of electromagnetic radiation pressure are discussed. We use an approach based on the quantum stress tensor to calculate the fluctuations in velocity and position of a mirror subjected to electromagnetic radiation. Our…
We investigate the role of quantum effects (e.g. zero-point energy fluctuations) in the physics of nanotube- and nanowire-based electromechanical sensors as discussed in a recent article [Postma et al., Appl. Phys. Lett. 86, 223105 (2005)].…
Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these…
Molecular dynamics approaches use wave packets as nucleon wave functions to simulate the time evolution of nuclear reactions. It is crucial to activate the momentum fluctuation inherent in each wave packet so that it properly affects the…
In an era of high-precision determinations of QGP properties a full incorporation of fluid dynamical fluctuations into our models has become crucial, in particular, when describing the dynamics of small systems or near the conjectured QCD…
In this study we investigate the nuclear quantum effects (NQEs) on the acidity constant (pKA) of liquid water isotopologues at the ambient condition by path integral molecular dynamics (PIMD) simulations. We compared simulations using a…
We propose that flow fluctuations have the same origin as transverse momentum fluctuations. The common source of these fluctuations is the spatially inhomogeneous initial state that drives hydrodynamic flow. Longitudinal correlations from…
A localized charged particle oscillating near a reflecting boundary is considered as a model for non-cancellation of vacuum fluctuations. Although the mean velocity of the particle is sinusoidal, the velocity variance produced by vacuum…