Photoinduced dynamics of electronic and vibrational unidirectional energy transfer between meta-linked building blocks in a phenylene ethynylene dendrimer is simulated using a multiconfigurational Ehrenfest in time-dependent ...

The effect of non-adiabatic transitions on the F(2P) + CHD3(ν1) → DF + CHD2 and F(2P) + CHD3(ν1) → HF + CD3 reactions is investigated. The dynamics of the nuclei was simulated using trajectory surface hopping and a ...

In this master’s thesis, we developed three different topics. In the first topic, we studied the quantum adiabatic brachistochrone method (QAB) for optimizing adiabatic dynamics. In the first part of this study, we reported ...

In this article, we briefly review the dynamical and thermodynamical aspects of different forms of quantum motors and quantum pumps. We then extend previous results to provide new theoretical tools for a systematic study ...

Coherence, signifying concurrent electron-vibrational dynamics in complex natural and man-made systems, is currently a subject of intense study. Understanding this phenomenon is important when designing carrier transport ...

The stochastic dynamics toward the final attractor in exponential distributed timedelay non-linear models is presented, then the passage time statistic is studied analytically in the small noise approximation. The problem ...

We theoretically study the competition between different energy dissipation channels in the adsorption of N atoms on Ag(1 1 1) surfaces. The three-dimensional potential energy surface that describes the interaction between ...