Related papers: Studying rare nonadiabatic dynamics with transitio…
Simulating the molecular dynamics (MD) using classical or semi-classical trajectories provides important details for the understanding of many chemical reactions, protein folding, drug design, and solvation effects. MD simulations using…
Recent progress in the study of dynamical phase transitions has been made with a large-deviation approach to study trajectories of stochastic jumps using a thermodynamic formalism. We study this method applied to an open quantum system…
We study the dynamics of a driven non-Hermitian superconducting qubit which is perturbed by quantum jumps between energy levels, a purely quantum effect with no classical correspondence. The quantum jumps mix the qubit states leading to…
We derive a novel efficient scheme to measure the rate constant of transitions between stable states separated by high free energy barriers in a complex environment within the framework of transition path sampling. The method is based on…
The dynamics of open quantum systems is often modelled using master equations, which describe the expected outcome of an experiment (i.e., the average over many realizations of the same dynamics). Quantum trajectories, instead, model the…
An ab initio quantum-classical mixed scheme for the time evolution of electrode-device-electrode systems is introduced to study nuclear dynamics in quantum transport. Two model systems are discussed to illustrate the method. Our results…
Fine control of the dynamics of a quantum system is the key element to perform quantum information processing and coherent manipulations for atomic and molecular systems. In this paper we propose a control protocol using a tangent-pulse…
The quantum jump approach, where pairs of state vectors follow Stochastic Schroedinger Equation (SSE) in order to treat the exact quantum dynamics of two interacting systems, is first described. In this work the non-uniqueness of such…
We introduce a novel computational framework for excited-states molecular quantum dynamics simulations driven by quantum computing-based electronic-structure calculations. This framework leverages the fewest-switches surface-hopping method…
The nonadiabatic transition probabilities in the two-level systems are calculated analytically by using the monodromy matrix determining the global feature of the underlying differential equation. We study the time-dependent 2x2 Hamiltonian…
We use the effective Hamiltonian that we recently fitted against the first 306 experimentally observed vibronic transitions of NO2 [J. Chem. Phys. 119, 5923 (2003)] to investigate the time domain nonadiabatic dynamics of this molecule on…
We consider Markovian open quantum systems subject to stochastic resetting, which means that the dissipative time evolution is reset at randomly distributed times to the initial state. We show that the ensuing dynamics is non-Markovian and…
We perform on-the-fly non-adiabatic molecular dynamics simulations using the symmetrical quasi-classical (SQC) approach with the recently suggested molecular Tully models: ethylene and fulvene. We attempt to provide benchmarks of the SQC…
We present a new approach to calculate real-time quantum dynamics in complex systems. The formalism is based on the partitioning of a system's environment into "core" and "reservoir" modes, with the former to be treated quantum mechanically…
Trapped ion systems present non-classical characteristics such as squeezed states that show a quantum advantage in quantum sensing, quantum information processing and quantum thermodynamics. We analyze the non-classical characteristics of a…
Rare events in molecular dynamics are often related to noise-induced transitions between different macroscopic states (e.g., in protein folding). A common feature of these rare transitions is that they happen on timescales that are on…
We construct a measure for the adiabatic contribution to quantum transitions in an arbitrary basis, tackling the generic complex case where dynamics is only partially adiabatic, simultaneously populates several eigenstates and transitions…
In quantum information processing, the development of fast and robust control schemes remains a central challenge. Although quantum adiabatic evolution is inherently robust against control errors, it typically demands long evolution times.…
Dynamical phase transition in quantum many body systems is usually studied by taking it in the ground state and then quenching a parameter to a new value. We investigate here the dynamics when one performs the time evolution of a generic…
Recently, the technique of counterdiabatic driving, which provides an effective strategy for accelerating adiabatic quantum evolution, has been widely applied in the preparation of many-body quantum states. In this work, we propose a…