Related papers: Stabilised Coupled Trajectory Mixed Quantum Classi…
Optimal decision-making for trajectory tracking in partially observable, stochastic environments where the number of active localization updates -- the process by which the agent obtains its true state information from the sensors -- are…
Entropic Dynamics (ED) is a framework in which Quantum Mechanics is derived as an application of entropic methods of inference. In ED the dynamics of the probability distribution is driven by entropy subject to constraints that are codified…
Mixed Quantum Classical (MQC)-IVR is a recently introduced semiclassical framework that allows for selective quantization of the modes of a complex system. In the quantum limit, MQC reproduces the semiclassical Double Herman-Kluk IVR…
The general framework of Entropic Dynamics (ED) is used to construct non-relativistic models of relational quantum mechanics from well known inference principles -- probability, entropy and information geometry. Although only partially…
Combining classical density functional theory (cDFT) with quantum mechanics (QM) methods offers a computationally efficient alternative to traditional QM/molecular mechanics (MM) approaches for modeling mixed quantum-classical systems at…
Trajectory-based methods that propagate classical nuclei on multiple quantum electronic states are often used to simulate nonadiabatic processes in the condensed phase. A long-standing problem of these methods is their lack of detailed…
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.…
This work identifies geometric effects on dynamics due to nonadiabatic couplings in Born Oppenheimer systems and provides a systematic method for deriving corrections to mixed quantum-classical methods. Specifically, an exact path integral…
Quantum error correction/detection (QEC/QED) and dynamical decoupling (DD) are tools for protecting quantum information. A natural goal is to combine them to outperform either approach alone. Such a benefit is not automatic: physical DD can…
The recent improvement in experimental capabilities for interrogating and controlling molecular systems with ultrafast coherent light sources calls for the development of theoretical approaches that can accurately and efficiently treat…
Accelerating quantum dynamical simulations with quantum computing has received considerable attention but remains a significant challenge. In variational quantum algorithms for quantum dynamics, designing an expressive and shallow-depth…
We show that the correspondence between quantum and classical mechanics can be tuned by varying the coupling strength between the cavity modes and an atom or a molecule. In the acceleration gauge the cavity-matter system is represented by…
Consistent dynamics which couples classical and quantum degrees of freedom exists, provided it is stochastic. This dynamics is linear in the hybrid state, completely positive and trace preserving. One application of this is to study the…
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…
Molecular or condensed matter systems are often well approximated by hybrid quantum-classical models: the electrons retain their quantum character, whereas the ions are considered to be classical particles. We discuss various alternative…
I formulate a quantum stochastic thermodynamics for the quantum trajectories of a continuously-monitored forced harmonic oscillator coupled to a thermal reservoir. Consistent trajectory-dependent definitions are introduced for work, heat,…
Consider any stationary Schroedinger wave equation (SWE) solution $psi (x)$ for a particle. The corresponding PDF on position QTR{em}{x} of the particle is QTR{em}{p}$_{X}(x)=|psi (x)|^{2}$. There is a classical trajectory QTR{em}{x(t)} for…
Most passivity based trajectory tracking algorithms for mechanical systems can only stabilise reference trajectories that have constant energy. This paper overcomes this limitation by deriving a single variable Hamiltonian model for the…
We developed a general theoretical approach and a user-ready computer code that permit to study the dynamics of collisional energy transfer and ro-vibrational energy exchange in complex molecule-molecule collisions. The method is a mixture…
Non-equilibrium transport properties of quantum systems have recently become experimentally accessible in a number of platforms in so-called full-counting experiments that measure transient and steady state non-equilibrium transport…