Related papers: Energy-Conserving Coupled Trajectory Mixed Quantum…
This paper addresses the regulation and trajectory-tracking problems for two classes of weakly coupled electromechanical systems. To this end, we formulate an energy-based model for these systems within the port-Hamiltonian framework. Then,…
Unbiased stochastic sampling of the one- and two-body reduced density matrices is achieved in full configuration interaction quantum Monte Carlo with the introduction of a second, "replica" ensemble of walkers, whose population evolves in…
The Transformer model, renowned for its powerful attention mechanism, has achieved state-of-the-art performance in various artificial intelligence tasks but faces challenges such as high computational cost and memory usage. Researchers are…
The variational quantum eigensolver (VQE) algorithm combines the ability of quantum computers to efficiently compute expectation values with a classical optimization routine in order to approximate ground state energies of quantum systems.…
We analyze the time-resolved energy transport and the entropy production in ac-driven quantum coherent electron systems coupled to multiple reservoirs at finite temperature. At slow driving we formulate the first and second laws of…
Auxiliary Field Quantum Monte Carlo (AFQMC) has emerged as a powerful framework for treating strongly correlated electronic systems, offering a favorable balance between computational cost and accuracy. In this paper, we present a novel…
Low-energy nuclear fusion reactions have been described using a dynamical coupled-channels density matrix method, based on the theory of open quantum systems. For the first time, this has been combined with an energy projection method,…
In a recent article [A. Kurcz et al., Phys. Rev. A 81, 063821 (2010)] we predicted an energy concentrating mechanism in composite quantum systems. Its result is a non-zero stationary state photon emission rate even in the absence of…
The study shows that presence of the quantum coherent, unitary component of the evolution of the system can improve constancy of heat engines, i.e., decrease fluctuations of the output power, in comparison with purely stochastic setups.…
In Grossu et al. (2012) we presented a Chaos Many-Body Engine (CMBE) toy-model for chaos analysis of relativistic nuclear collisions at 4.5 A GeV/c (the SKM 200 collaboration) which was later extended to Cu + Cu collisions at the maximum…
Experiments indicate that collective coupling of molecular ensembles to confined optical modes can modify excited-state dynamics and photochemical reactivity. To describe such cavity-induced effects at atomic resolution, semi-classical…
The metriplectic formalism is useful for describing complete dynamical systems which conserve energy and produce entropy. This creates challenges for model reduction, as the elimination of high-frequency information will generally not…
A pure-dephasing reservoir acting on an individual quantum system induces loss of coherence without energy exchange. When acting on composite quantum systems, dephasing reservoirs can lead to a radically different behavior. Transport of…
An accurate description of nonadiabatic dynamics of molecular species on metallic surfaces poses a serious computational challenge associated with a multitude of closely-spaced electronic states. We propose a mixed quantum-classical scheme…
We present a thermodynamically consistent energetic variational model for active nematics driven by ATP hydrolysis, with a focus on the coupling between chemical reactions and mechanical dynamics. Extending the classical Toner-Tu framework,…
We investigate conservation laws in the quantum mechanics of closed systems. We review an argument showing that exact decoherence implies the exact conservation of quantities that commute with the Hamiltonian including the total energy and…
Collective light-matter interactions have been used to control chemistry and energy transfer, yet accessible approaches that combine ab initio methodology with large many-body quantum optical systems are missing due to the fast increase in…
The quantum dynamics of electron-nuclear systems is analyzed from the perspective of the exact factorization of the wavefunction, with the aim of defining gauge invariant equations of motion for both the nuclei and the electrons. For pure…
Electronic coherences are key to understanding and controlling photo-induced molecular transformations. We identify a crucial quantum-mechanical feature of electron-nuclear correlation, the projected nuclear quantum momenta, essential to…
We extend the coupled-cluster method to correlated quantum dynamics of both closed and open systems at finite temperatures using the thermo-field formalism. The approach expresses the time-dependent density matrix in an exponential ansatz…