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Donor-acceptor type compounds are an important category of organic materials that show properties suitable for light emission applications. To achieve a full understanding of the mechanism of thermally activated delayed fluorescence (TADF)…
Thermally activated delayed fluorescence (TADF) emitters are essential for next-generation, high-efficiency organic light-emitting diodes (OLEDs), yet their rational design is hampered by the high computational cost of accurate…
Thermally activated delayed fluorescence (TADF) is a promising route towards high-efficiency, metal-free organic light-emitting diodes (OLEDs). However, the characterization of TADF kinetics in solid-state thin films is often complicated by…
Particle-producing targets in high-energy research facilities are often made from refractory metals, and they typically require dedicated cooling systems due to the challenging thermomechanical conditions they experience. However, direct…
We present a computationally efficient framework for predicting the excited-state properties of thermally activated delayed fluorescence (TADF) emitters, integrating extended tight-binding (\xtb), simplified Tamm-Dancoff approximation…
Advanced photonic materials showing two-photon absorption (2PA) have been widely explored to develop three-dimensional imaging, micro and nanofabrication, all-optical switching, lithography on a nanoscale and many other enabling…
High-spin states in organic molecules offer promising tuneability for quantum technologies. Photogenerated quartet excitons are an extensively studied platform, but their applications are limited by the absence of optical read-out via…
TADF emitter performance depends on both thermodynamic and kinetic factors. We analyze 747 experimentally known TADF molecules computationally to extract quantitative design guidelines. Using a validated xTB-based workflow, we examine how…
The Compressed Baryonic Matter (CBM) spectrometer aims to study strongly interacting matter under extreme conditions. The key element providing hadron identification at incident energies between 2 and 11 AGeV in heavy-ion collisions at the…
Long-lived emissive materials based on room temperature phosphorescence (RTP) and thermally activated delayed fluorescence (TADF) are considered as the cornerstone of the development of optical sensors, security systems and solid-state…
The Compressed Baryonic Matter spectrometer (CBM) is a future fixed-target heavy-ion experiment located at the Facility for Anti-proton and Ion Research (FAIR) in Darmstadt, Germany. The key element in CBM providing hadron identification at…
We present the first calculations of the inelastic part of the dynamical structure factor (DSF) for warm dense matter (WDM) using Time-Dependent Orbital-Free Density Functional Theory (TD-OF-DFT) and Mixed-Stochastic-Deterministic (mixed)…
Plasmonic metamaterials and metasurfaces offer new opportunities in developing high performance terahertz emitters and detectors beyond the limitations of conventional nonlinear materials. However, simple meta-atoms for second-order…
In this contribution we present some results of potential energy surfaces of actinide and transfermium nuclei from multi-dimensional constrained relativistic mean field (MDC-RMF) models. Recently we developed multi-dimensional constrained…
The Terahertz band holds a promise to enable both super-accurate sensing and ultra-fast communication. However, challenges arise that severe Doppler effects call for a waveform with high Doppler robustness while severe propagation path loss…
We present a new class of artificial materials which exhibit a tailored response to the electrical component of electromagnetic radiation. These electric metamaterials (EM-MMs) are investigated theoretically, computationally, and…
The Compressed Baryonic Matter (CBM) experiment is one of the major scientific spectrometers of the future Facility for Antiproton and Ion Research (FAIR) in Darmstadt. As one of the core sub-systems in CBM experiment for charged hadron…
Novel thermally activated delayed fluorescence (TADF) material with diphenyl sulfone (DPS) as an electron acceptor and 3,6-dimethoxycarbazole (DMOC) and 1,3,6,8-Tetramethyl-9H-carbazole (TMC) as electron donors were investigated…
We report $^{59}$Co, $^{93}$Nb, and $^{121}$Sb nuclear magnetic resonance (NMR) measurements combined with density functional theory (DFT) calculations on a series of half-Heusler semiconductors, including NbCoSn, ZrCoSb, TaFeSb and NbFeSb,…
Affine Frequency Division Multiplexing (AFDM) has emerged as a promising chirp-based multicarrier technology for high-speed communication systems. To fully exploit the diversity gain offered by AFDM, accurate channel estimation is…