相关论文: Formally exact, arbitrarily scalable simulations o…
The photoexcitation dynamics of molecular materials on the 10-100 nm length scale depend on complex interactions between the electronic and vibrational degrees of freedom, rendering exact calculations difficult or intractable. The adaptive…
Simulations of exciton and charge hopping in amorphous organic materials involve numerous physical parameters. Each of these parameters must be computed from costly ab initio calculations before the simulation can commence, resulting in a…
In this paper, we present a new method for calculating linear absorption spectra for large molecular aggregates, called dyadic adaptive HOPS (DadHOPS). This method combines the adaptive HOPS (adHOPS) framework, which uses locality to…
The simulation of spectroscopic observables for molecular aggregates with strong and structured coupling of electronic excitation to vibrational degrees of freedom is an important but challenging task. The hierarchy of pure states (HOPS)…
Enriching condensed-matter systems with quantum optical phenomena currently drives intense research efforts, particularly to introduce collective quantum correlations. Here we access this paradigm, by confining dipolar excitons in a…
Coherence transfer is a multi-disciplinary topic of interest, including chemistry, biology and physics. In quantum technologies, achieving non-local coherent coupling between solid-state qubits is of the utmost importance. Here, we…
Tightly bound excitons in monolayer semiconductors represent a versatile platform to study two-dimensional propagation of neutral quasiparticles. Their intrinsic properties, however, can be severely obscured by spatial energy fluctuations…
Unravelling the nature of energy transport in multi-chromophoric photosynthetic complexes is essential to extract valuable design blueprints for light-harvesting applications. Long-range exciton transport in such systems is facilitated by a…
We derive a hierarchy of stochastic evolution equations for pure states (quantum trajectories) to efficiently solve open quantum system dynamics with non-Markovian structured environments. From this hierarchy of pure states (HOPS) the exact…
Excitons play an essential role in the optical response of two-dimensional materials. These are bound states showing up in the band gaps of many-body systems and are conceived as quasiparticles formed by an electron and a hole. By…
Studies of quantum thermal effects on molecular excitation dynamics have often relied on oversimplified models, such as energy eigenstates or low-dimensional potentials, which fail to capture the complexity of real chemical systems. In…
Efficient energy transport is highly desirable for organic semiconductor (OSC) devices such as photovoltaics, photodetectors, and photocatalytic systems. However, photo-generated excitons in OSC films mostly occupy highly localized states…
We construct a class of assisted hopping models in one dimension in which a particle can move only if it does not lie in an otherwise empty interval of length greater than $n+1$. We determine the exact steady state by a mapping to a gas of…
Within the Tamm-Dancoff approximation ab initio approaches describe excitons as packets of electron-hole pairs propagating only forward in time. However, we show that in nanoscale materials excitons and plasmons hybridize, creating…
The hierarchy of pure states (HOPS) is a wavefunction-based method which can be used for numerically modeling open quantum systems. Formally, HOPS recovers the exact system dynamics for an infinite depth of the hierarchy. However,…
We enlarge our results from the study of the hopping mechanism of the oscillation excitation transport in 1D model of one biology-like macromolecular chain to the case of a system composed from two 1D parallel macromolecular chains with…
The description of carrier dynamics in spatially confined semiconductor nanocrystals (NCs), which have enhanced electron-hole and exciton-phonon interactions, is a great challenge for modern computational science. These NCs typically…
We extend the model of exciton-plasmon materials to include a ro-vibrational structure of molecules using wave-packet propagations on electronic potential energy surfaces. The new model replaces conventional two-level emitters with more…
The transport and chemical reactions of solutes are modelled as a cellular automaton in which molecules of different species perform a random walk on a regular lattice and react according to a local probabilistic rule. The model describes…
Recent ultrafast optical experiments show that excitons in large biological light-harvesting complexes are coupled to molecular vibration modes. These high-frequency vibrations will not only affect the optical response, but also drive the…