Related papers: Coherent dynamics of photoinduced nucleation proce…
The computational simulation of photo-induced processes in large molecular systems is a very challenging problem. Here, we present a detailed description of our implementation of a molecular dynamics with electronic transitions algorithm…
We demonstrate that with a stepwise introduction of complexity to a model of an electron system embedded in a photonic cavity and a carefully controlled stepwise truncation of the ensuing many-body space it is possible to describe the…
Excited states in single quantum dots (QDs) have been shown to be useful for spin state initialization and manipulation. For scalable quantum information processing it is necessary to have multiple spins interacting. Therefore, we present…
We study the nonequilibrium dynamics of photoexcited electrons in the narrow-gap Mott insulator VO$_2$. The initial stages of relaxation are treated using a quantum Boltzmann equation methodology, which reveals a rapid ($\sim$ femtosecond…
We review how phase-field models contributed to the understanding of various aspects of crystal nucleation including homogeneous and heterogeneous processes, and their role in microstructure evolution. We recall results obtained both by the…
We study the photoelectric effect on the example of a simplified model of an atom with a single bound state, coupled to the quantized electromagnetic field. For this model, we show that Einstein's prediction for the photoelectric effect is…
In quantum electrodynamics, photon-photon scattering can be the result of the exchange of virtual electron-positron pairs. This gives rise to a non-trivial dispersion relation for a single photon moving on a background of electromagnetic…
It has been observed experimentally [H.R. Xia, C.Y. Ye, and S.Y. Zhu, Phys. Rev. Lett. {\bf 77}, 1032 (1996)] that quantum interference between two molecular transitions can lead to a suppression or enhancement of spontaneous emission. This…
Optically induced ultrafast electronic excitations with sufficiently long lifetimes may cause strong effects on phase transitions like structural and nonmetal to metal ones. Examples are transitions diamond to graphite, graphite to…
In this paper we consider dynamics of a molecular system subjected to external pumping by a light source. Within a completely quantum mechanical treatment, we derive a general formula, which enables to asses effects of different light…
We study the electronic coupling between two vertically stacked InAs quantum dots, which are embedded in the center of a n-i-n structure. We use a micro-photoluminescence setup to optically isolate a single quantum dot pair and measure the…
Non-equilibrium transport properties and energy conversion performance of a molecular photo-voltaic cell are analyzed using the Lindblad master equation within the open quantum systems approach. The method allows us to calculate the…
Nucleation is the onset of a first-order phase transition by which a metastable phase transforms into a more stable one. Such a phase transition occurs when an initial system initially in equilibrium is destabilized by the change of an…
We theoretically study pump-photon-energy-dependent pathways of a photoinduced dimer-Mott-insulator-to-metal transition, on the basis of numerical solutions to the time-dependent Schr\"odinger equation for the exact many-body wave function…
Photonic condensates are complex systems exhibiting phase transitions due to the interaction with their molecular environment. Given the macroscopic number of molecules that form a reservoir of excitations, numerical simulations are…
We investigate elastic, inelastic, and coalescent collisions between two-dimensional flat-top solitons supported by the cubic-quintic nonlinear Schr\"odinger equation. Numerical simulations reveal distinct collision regimes ranging from…
We present a quantum mechanical theory of optically induced dynamic nuclear polarization applicable to quantum dots and other interacting spin systems. The exact steady state of the optically driven coupled electron-nuclear system is…
Photoactive proteins absorb light and undergo structural changes that enable them to perform essential biological functions. These proteins are critical for understanding light-induced biological processes, making them important in…
We develop a trajectory-based approach for excited-state molecular dynamics simulations of systems subject to an external periodic drive. We combine the exact-factorization formalism, allowing to treat electron-nuclear systems in…
Interfaces between molecules and 2D materials exhibit energy-driven functionalities, wherein charge transfer directs molecular motion. Unlike equilibrium systems, where molecular assemblies settle into static configurations, continuous…