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Beyond the adiabatic regime, our understanding of quantum dynamics in coupled systems remains limited, and the choice of representation continues to obscure physical interpretation and simulation accuracy. Here we propose a natural and…
We introduce and investigate an open many-body quantum system in which kinetically constrained coherent and dissipative processes compete. The form of the incoherent dissipative dynamics is inspired by that of epidemic spreading or…
Mixed-quantum classical (MQC) methods for simulating the dynamics of molecules at metal surfaces have the potential to accurately and efficiently provide mechanistic insight into reactive processes. Here, we introduce simple two-dimensional…
We show that quantum pumping does not always require a quantum description or a quantum phase. Quantum pumping is shown to encompass different types of processes, some of which intrinsically rely on phase while others do not. We also show…
Starting from the geometric description of quantum systems, we propose a novel approach to time-independet dissipative quantum processes according to which the energy is dissipated but the coherence of the states is preserved. Our proposal…
A relationship between the time scales of quantum coherence loss and short-time solvent response for a solute/bath system is derived for a Gaussian wave packet approximation for the bath. Decoherence and solvent response times are shown to…
The character of the interaction between an impurity vibrational mode and a heat bath leads to certain peculiarities in the relaxational dynamics of the excited states. We derive a non-Markovian equation of motion for the reduced density…
We present a microscopic approach to quantum dissipation and sketch the derivation of the kinetic equation describing the evolution of a simple quantum system in interaction with a complex quantum system. A typical quantum complex system is…
Understanding how coherence of quantum systems affects thermodynamic quantities, such as work and heat, is essential for harnessing quantumness effectively in thermal quantum technologies. Here, we study the unique contributions of quantum…
We present an efficient \textit{ab initio} algorithm for quantum dynamics simulations of interacting systems that is based on the conditional decomposition of the many-body wavefunction [Phys. Rev. Lett. 113, 083003 (2014)]. Starting with…
Recent advances in time-resolved cathodoluminescence have enabled ultrafast studies of single emitters in quantum materials with femtosecond temporal resolution. Here, we develop a quantum theory modeling the dynamics of free electrons…
We develop a large scale quantum master equation approach to describe dynamical processes of practical open quantum systems driven by both coherent and stochastic interactions by including more than one thousand true states of the systems,…
A nonperturbative theory is developed, aiming at an exact and efficient evaluation of a general quantum system interacting with arbitrary bath environment at any temperature and in the presence of arbitrary time-dependent external fields.…
We derive an accurate molecular orbital based expression for the coherent time evolution of a two-electron wave function in a quantum dot molecule where the electrons interact with each other, with external time dependent electromagnetic…
Developments in the foundations of quantum mechanics have identified several attributes and tests associated with the "quantumness" of systems, including entanglement, nonlocality, quantum erasure, Bell test, etc. Here we introduce and…
The calculation time for the energy of atoms and molecules scales exponentially with system size on a classical computer but polynomially using quantum algorithms. We demonstrate that such algorithms can be applied to problems of chemical…
An approach to the quantum-classical mechanics of phase space dependent operators, which has been proposed recently, is remodeled as a formalism for wave fields. Such wave fields obey a system of coupled non-linear equations that can be…
Quantum dynamics of coherent states is studied within quantum field theory using two complementary methods: by organizing the evolution as a Taylor series in elapsed time and by perturbative expansion in coupling within the…
We investigate an undamped random phase-space dynamics in deterministic external force fields (conservative and magnetic ones). By employing the hydrodynamical formalism for those stochastic processes we analyze microscopic kinetic-type…
The dynamics of a quantum system coupled to a classical environment and subject to constraints that drive it out of equilibrium is described. The evolution of the system is governed by the quantum-classical Liouville equation. Rather than…