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Topological photonics provides a fundamental framework for robust manipulation of light, including directional transport and localization with built-in immunity to disorder. Combined with an optical gain, active topological cavities hold…
Diketopyrrolopyrroles are a popular class of electron-withdrawing unit in optoelectronic materials. When combined with electron donating side-chain functional groups such as thiophenes, they form a very broad class of donor-acceptor…
The great progress in organic photovoltaics (OPV) over the past few years has been largely achieved by the development of non-fullerene acceptors (NFAs), with power conversion efficiencies now approaching 20%. To further improve device…
High-spin states in molecular systems hold significant interest for a wide range of applications ranging from optoelectronics to quantum information and singlet fission (SF). Quintet and triplet states play crucial roles, particularly in SF…
The work presents the electronic structure, spin state and optical properties of TM-dinuclear molecules (TM = Cr, Mn, Fe, Co, and Ni) which was modelled according to the recently reported Pt$^{II}$-dinuclear complex…
The primary computational challenge when simulating nonadiabatic ab initio molecular dynamics is the unfavorable compute costs of electronic structure calculations with molecular size. Simple electronic structure theories, like…
All materials are made from atoms arranged either in repeating (crystalline) or in random (amorphous) structures. Diffraction measurements probe average distances between atoms and/or planes of atoms. A transmission electron microscope in…
We present a theoretical description of femtosecond laser induced dynamics of the hydrogen molecule and of singly ionised sodium dimers, based on a real-space, real-time, implementation of time-dependent density functional theory (TDDFT).…
Various ternary chalcogenide systems and their properties are one of the hot topics for researchers nowadays. In this article, one of the ternary chalcogenide compounds, CdTl2Te4 is studied including its electronic structures and optical…
Third order parametric down-conversion describes a class of nonlinear processes in which a pump photon can be down-converted into triplets of photons. It has been identified as a source of non-classical light, with capabilities beyond those…
The photon upconversion based on sensitized triplet-triplet annihilation (sTTA-UC) is a spin-flip mechanism exploited to recover the energy of dark triplet states in conjugated systems. In this process a high-energy fluorescent singlet is…
Intermittent photoluminescence of colloidal core/shell semiconductor nanocrystals of spherical and branched shape was studied under CW-laser excitation. Luminescent multichannel registration system was applied for the fluorescence detection…
Sustainable efficient light emitter based solely on elements-of-hope are needed to replace current compounds based on less-abundant materials. Functionalized diamondoids are a potential solution for this challenge as they offer efficient,…
Nanophotonics has recently gained new momentum with the emergence of a novel class of nanophotonic systems consisting of resonant dielectric nanostructures integrated with single or few layers of transition metal dichalcogenides (2D-TMDs).…
We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to the coupling to transversal photons as formulated in the newly developed quantum-electrodynamical density functional theory (QEDFT). Our…
The spectral function of the closed-shell Neon atom is computed by expanding the electron self-energy through a set of Faddeev equations. This method describes the coupling of single-particle degrees of freedom with correlated two-electron,…
Spin triplet exciton formation sets limits on technologies using organic semiconductors that are confined to singlet-triplet photophysics. In contrast, excitations in the spin doublet manifold in organic radical semiconductors can show…
Measurement-based quantum computation relies on single qubit measurements of large multipartite entangled states, so-called lattice-graph or cluster states. Graph states are also an important resource for quantum communication, where tree…
Integrated quantum photonics has recently emerged as a powerful platform for generating, manipulating, and detecting entangled photons. Multipartite entangled states lie at the heart of the quantum physics and are the key enabling resources…
Ultracold Fermi gases of spin-3/2 atoms provide a clean platform to realise SO(5) models of 4-Fermi interactions in the laboratory. By confining the atoms in a two-dimensional Raman lattice, we show how this system can be used as a flexible…