Related papers: Geometric Phase Effect in Thermodynamic Properties…
Path-integral molecular dynamics (PIMD) simulations are crucial for accurately capturing nuclear quantum effects in materials. However, their computational intensity and reliance on multiple software packages often limit their applicability…
We apply geometric phase ideas to coherent states to shed light on interference phenomenon in the phase space description of continuous variable Cartesian quantum systems. In contrast to Young's interference characterized by path lengths,…
Accounting for nuclear quantum effects (NQEs) can significantly alter material properties at finite temperatures. Atomic modeling using the path-integral molecular dynamics (PIMD) method can fully account for such effects, but requires…
The concept of geometry works as an overarching framework underlying a wide range of transport phenomena. Particularly, the geometric phase effect in classical and quantum heat pump has been attracting much attention in microscopic systems.…
Accurate simulation of nuclear quantum effects is essential for molecular modeling but expensive using path integral molecular dynamics (PIMD). We present GG-PI, a ring-polymer-based framework that combines generative modeling of the…
Geometric phase of an open quantum system that is interacting with a thermal environment (bath) is studied through some simple examples. The system is considered to be a simple spin-half particle which is weakly coupled to the bath. It is…
Recent advancements have revealed new links between information geometry and classical stochastic thermodynamics, particularly through the Fisher information (FI) with respect to time. Recognizing the non-uniqueness of the quantum Fisher…
Based on the adiabatic geometric phase concerning with density matrix[1] , we extend it to the sub-geometric phase in the non-adiabatic case. It is found that whatever the real part or imaginary part of the sub-geometric phase can play an…
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…
Vibrational spectra of condensed and gas-phase systems containing light nuclei are influenced by their quantum-mechanical behaviour. The quantum dynamics of light nuclei can be approximated by the imaginary time path integral (PI)…
Geometric phases play a fundamental role in understanding quantum topology, yet extending the Uhlmann phase to non-Hermitian systems poses significant challenges due to parameter-dependent inner product structures. In this work, we develop…
Conical intersections are ubiquitous in chemistry and physics, often governing processes such as light harvesting, vision, photocatalysis, and chemical reactivity. They act as funnels between electronic states of molecules, allowing rapid…
With the path integral approach, the thermal average in a multi-electronic-state quantum systems can be approximated by the ring polymer representation on an extended configuration space, where the additional degrees of freedom are…
We study the influence of geometry of quantum systems underlying space of states on its quantum many-body dynamics. We observe an interplay between dynamical and topological ingredients of quantum non-equilibrium dynamics revealed by the…
We study the geometric phase (GP) of a two-level atom coupled to an environment composed of free space and a dielectric nanosphere in thermal and out of thermal equilibrium. We analytically and numerically analyze the optical properties and…
Path integral Monte Carlo (PIMC) simulations with very simple models were used in order to unveil the physics behind the isotope effects in H-bonded ferroelectrics. First, we studied geometrical effects in the H-bonds caused by deuteration…
We develop an algorithm for bosonic path integral molecular dynamics (PIMD) simulations with periodic boundary conditions (PBC) that scales quadratically with the number of particles. Path integral methods are a powerful tool to simulate…
Grain boundary (GB) properties greatly influence the mechanical, electrical, and thermal response of polycrystalline materials. Most computational studies of GB properties at finite temperatures use molecular dynamics (MD), which is…
In this work, a novel ring polymer representation for multi-level quantum system is proposed for thermal average calculations. The proposed presentation keeps the discreteness of the electronic states: besides position and momentum, each…
Geometric phases have been shown to be feasible in implementing quantum gates to perform quantum information processing. For all the realistic applications, the environmental influence on the geometric phase and decoherence such as memory…