Related papers: Energy-Conserving Coupled Trajectory Mixed Quantum…
A general method of quantum-to-classical reduction of quantum dynamics is described. The key aspect of our method is the similarity transformation of the Liouvillian, which provides a new perspective. In conventional studies of quantum…
The study of the long time conservation for numerical methods poses interesting and challenging questions from the point of view of geometric integration. In this paper, we analyze the long time energy and magnetic moment conservations of…
In a recent paper (J. Chem. Theory. Comput., 2017, 13, 180-190) we proposed the Truncated Conjugate Gradient (TCG) approach to compute the polarization energy and forces in polarizable molecular simulations. The method consists in…
The dynamical equation of quantum mechanics are rewritten in form of dynamical equations for the measurable, positive marginal distribution of the shifted, rotated and squeezed quadrature introduced in the so called "symplectic tomography".…
We propose and explore a new hybrid approach to jet quenching in a strongly coupled medium. The basis of this phenomenological approach is to treat physics processes at different energy scales differently. The high-$Q^2$ processes…
Temporal causal representation learning methods assume that causal mechanisms switch instantaneously between discrete domains, yet real-world systems often exhibit continuous mechanism transitions. For example, a vehicle's dynamics evolve…
Here, we introduce the Directional Quantum Evolution Theory (DQET), a covariant reformulation of quantum mechanics where evolution takes place along a four-vector-defined arbitrary timelike direction. This method restores space-time…
We study the trajectories of a single colloidal particle as it hops between two energy wells A and B, which are sculpted using adjacent optical traps by controlling their respective power levels and separation. Whereas the dynamical…
Many-body quantum-mechanical stationary states that have real valued wavefunctions are shown to satisfy a classical conservation of energy equation with a kinetic energy function. The terms in the equation depend on the probability…
In Coupled-Cluster (CC) theory, unphysical complex energies may arise in the presence of strong magnetic fields, near conical intersections, or in systems exhibiting complex Abelian point group symmetries. This issue originates from the…
The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one and three dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. We consider three…
High-energy physics simulations traditionally rely on classical Monte Carlo methods to model complex particle interactions, often incurring significant computational costs. In this paper, we introduce a novel quantum-enhanced simulation…
We present our successful implementation of the quantum electrodynamics coupled-cluster method with single and double excitations (QED-CCSD) for electronic and bosonic amplitudes, covering both individual and mixed excitation processes…
A unitary coupled-cluster (UCC) form for the wavefunction in the variational quantum eigensolver has been suggested as a systematic way to go beyond the mean-field approximation and include electron correlation in solving quantum chemistry…
Air quality is closely related to public health. Health issues such as cardiovascular diseases and respiratory diseases, may have connection with long exposure to highly polluted environment. Therefore, accurate air quality forecasts are…
The resource theory of quantum thermodynamics has emerged as a powerful tool for exploring the out-of-equilibrium dynamics of microscopic and highly correlated systems. Recently, it has been employed in photoisomerization, a mechanism…
The combined Continuous Time Random Walk (CTRW) in position and momentum space is introduced, in the form of two coupled integral equations that describe the evolution of the probability distribution for finding a particle at a certain…
In this paper we present a convex formulation of the Model Predictive Control (MPC) optimisation for energy management in hybrid electric vehicles, and an Alternating Direction Method of Multipliers (ADMM) algorithm for its solution. We…
We work in the Heisenberg picture to demonstrate the classical-quantum correspondence (CQC) in which the dynamics of a quantum variable is equivalent to that of a complexified classical variable. The correspondence provides a tool for…
Quantum mechanics still provides new unexpected effects when considering the transport of energy and information. Models of continuous time quantum walks, which implicitly use time-reversal symmetric Hamiltonians, have been intensely used…