Related papers: Studying rare nonadiabatic dynamics with transitio…
We propose a new quantum transition-state theory for calculating Fermi's golden-rule rates in complex multidimensional systems. This method is able to account for the nuclear quantum effects of delocalization, zero-point energy and…
We present a theoretical study of the electronic transport through a many-level quantum dot driven by time-dependent signals applied at the contacts to the leads. If the barriers oscillate out of phase the system operates like a turnstile…
Dissipative effects on the nonadiabatic transition for the two and three level systems are studied. When the system is affected by a strong dissipation through the diabatic states, the exact transition probability is enumerated making use…
The combined quantum electron-nuclear dynamics is often associated with the Born-Huang expansion of the molecular wave function and the appearance of nonadiabatic effects as a perturbation. On the other hand, native multicomponent…
Characterizing thermally activated transitions in high-dimensional rugged energy surfaces is a very challenging task for classical computers. Here, we develop a quantum annealing scheme to solve this problem. First, the task of finding the…
Metadynamics is a commonly used and successful enhanced sampling method. By the introduction of a history dependent bias which depends on a restricted number of collective variables(CVs) it can explore complex free energy surfaces…
Controlling the non adiabatic dynamics of isolated quantum systems driven through a critical point is of interest in a variety of fields ranging from quantum simulation to finite-time thermodynamics. We briefly review the different methods…
Accurate description of nonadiabatic dynamics of molecules at metal surfaces involving electron transfer has been a longstanding challenge for theory. Here, we tackle this problem by first constructing high-dimensional neural network…
We develop further the approach to upper and lower bounds in quantum dynamics via complex analysis methods which was introduced by us in a sequence of earlier papers. Here we derive upper bounds for non-time averaged outside probabilities…
The crossover from nonadiabatic to adiabatic electron transfer has been theoretically studied under a spin-boson model (dissipative two-state system) description. We present numerically exact data for the thermal transfer rate and the…
We provide a general formula of quantum transfer that includes the non-adiabatic effect under periodic environmental modulation by using full counting statistics in Hilbert-Schmidt space. Applying the formula to an anharmonic junction model…
We provide an algorithm based on weighted-ensemble (WE) methods, to accurately sample systems at steady state. Applying our method to different one- and two-dimensional models, we succeed to calculate steady state probabilities of order…
A master equation approach to the study of environmental effects in the adiabatic population transfer in three-state systems is presented. A systematic comparison with the non-Hermitian Hamiltonian approach [N. V. Vitanov and S. Stenholm,…
Complex spectra of dissipative quantum systems may exhibit degeneracies known as exceptional points (EPs). At these points the systems' dynamics may undergo drastic changes. Phenomena associated with EPs and their applications have been…
Surface hopping algorithms are popular tools to study dynamics of the quantum-classical mixed systems. In this paper, we propose a surface hopping algorithm in diabatic representations, based on time dependent perturbation theory and…
We propose an experimental method for evaluating the adiabatic condition during quantum annealing (QA), which will be essential for solving practical problems. The adiabatic condition consists of the transition matrix element and the energy…
Exceptional points, at which two or more eigenfunctions of a Hamiltonian coalesce, occur in non-Hermitian systems and lead to surprising physical effects. In particular, the behaviour of a system under parameter variation can differ…
We present a new formulation of the correlated electron-ion dynamics (CEID) scheme, which systematically improves Ehrenfest dynamics by including quantum fluctuations around the mean-field atomic trajectories. We show that the method can…
The nonadiabatic dynamics of a many-body system driven through a quantum critical point can be controlled using counterdiabatic driving, where the formation of excitations is suppressed by assisting the dynamics with auxiliary multiple-body…
We investigate a novel type of conditional dynamic that occurs in the strongly-driven Jaynes-Cummings model with dissipation. Extending the work of Alsing and Carmichael [Quantum Opt. {\bf 3}, 13 (1991)], we present a combined numerical and…