Related papers: Energy-Conserving Coupled Trajectory Mixed Quantum…
Using a group theoretical approach we derive an equation of motion for a mixed quantum-classical system. The quantum-classical bracket entering the equation preserves the Lie algebra structure of quantum and classical mechanics: The bracket…
Constant potential method molecular dynamics simulation (CPM MD) enables the accurate modelling of atomistic electrode charges when studying the electrode-electrolyte interface at the nanoscale. Here we extend the theoretical framework of…
Quantum simulation has begun to penetrate the field of quantum chemistry in hopes of efficiently calculating ground state energies and approximating real-time evolution. With modern research highlighting nonadiabatic dynamics, tunably…
Non-unitary theories are commonly seen in the classical simulations of quantum systems. Among these theories, the method of moments of coupled-cluster equations (MMCCs) and the ensuing classes of the renormalized coupled-cluster (CC)…
To capture the stochastic characteristics of renewable energy generation output, the chance-constrained unit commitment (CCUC) model is widely used. Conventionally, analytical solution for CCUC is usually based on simplified probability…
In Concentrated Solar Power (CSP) plants based on Parabolic Trough Collectors (PTC), the Sun is tracked at discrete time intervals, with each interval representing a movement of the collector system. The act of moving heavy mechanical…
We present a Model Predictive Control (MPC) algorithm for energy management in aircraft with hybrid electric propulsion systems consisting of gas turbine and electric motor components. Series and parallel configurations are considered. By…
Predictive models of thermodynamic properties of mixtures are paramount in chemical engineering and chemistry. Classical thermodynamic models are successful in generalizing over (continuous) conditions like temperature and concentration. On…
We experimentally demonstrate a method to control the relative amount of quantum and classical energy correlations between two photons from a pair emitted by spontaneous parametric downconversion. Decoherence in the energy basis is achieved…
We present a consistent framework of coupled classical and quantum dynamics. Our result allows us to overcome severe limitations of previous phenomenological approaches, like evolutions that do not preserve the positivity of quantum states…
The hybridization process has recently touched also the world of agricultural vehicles. Within this context, we develop an Energy Management Strategy (EMS) aiming at optimizing fuel consumption, while maintaining the battery state of…
We address the formulation and analysis of energy and momentum conserving time integration schemes in the context of particle dynamics, and in particular atomic systems. The article identifies three critical aspects of these models that…
Despite its widespread significance, the temporal coupled-mode theory (CMT) lacks a foundational validation based on electromagnetic principles and stands as a phenomenological theory relying on fitted coupling coefficients. We employ an ab…
We present the quantum-selected configuration interaction-tailored coupled-cluster (QSCI-TCC) method, a hybrid quantum-classical scheme that tailors coupled-cluster (CC) theory with a quantum-selected configuration interaction (QSCI) wave…
Machine learning techniques have achieved impressive results in recent years and the possibility of harnessing the power of quantum physics opens new promising avenues to speed up classical learning methods. Rather than viewing classical…
Starting with the exact factorization of the molecular wavefunction, this paper presents the results from the numerical implementation in nonadiabatic molecular dynamics of the recently proposed bohmion method. Within the context of quantum…
The main purpose of this paper is to present a new corrected decoupled scheme combined with a spatial finite volume method for chemotaxis models. First, we derive the scheme for a parabolic-elliptic chemotaxis model arising in embryology.…
The Improved Quantum Molecular Dynamics (ImQMD) model incorporated with the statistical decay model is used to investigate the intermediate energy nucleon-induced reactions. In our last work, the description on light complex particle…
This review presents a thermodynamic perspective on quantum coupled transport processes in nanoscale systems. Our analysis is formulated within the framework of entropy production rate, the central quantity governing non-equilibrium…
An acceleration of continuous time quantum Monte Carlo (CTQMC) methods is a potentially interesting branch of work as they are matchless as impurity solvers of a density functional theory in combination with a dynamical mean field theory…