The function of light-harvesting complexes is determined by a complex network of dynamic
interactions among all the different components: the aggregate of pigments, the protein, and …

Including both environmental and vibronic effects is important for accurate simulation of
optical spectra, but combining these effects remains computationally challenging. We outline …

The development and enrichment of organic materials with narrowband emission in longer
wavelength regions beyond 515 nm still remains a great challenge. Herein, a synthetic …

Organic fluorescent emitters with narrowband emissions are highly desirable for high‐
resolution organic light‐emitting diode (OLED) display technology. In principle, this can be …

In this study, two pairs of chiral thermally activated delayed fluorescence (TADF) materials
enabling circularly polarized luminescence (CPL) named R/S‐p‐BAMCN (rod‐shape) and …

The novel carbazole-based multiresonance types of thermally activated delayed
fluorescence (MR-TADF) emitters of mICz-DABNA and BFCz-DABNA are reported, and their …

The presence of solvent tunes many properties of a molecule, such as its ground and
excited state geometry, dipole moment, excitation energy, and absorption spectrum …

We present a general mixed quantum classical method that couples classical molecular
dynamics (MD) and vibronic models to compute the shape of electronic spectra of flexible …

Hydrogen bonding interactions with chromophores in chemical and biological environments
play a key role in determining their electronic absorption and relaxation processes, which …

Simulating optical spectra in the condensed phase remains a challenge for theory due to the
need to capture spectral signatures arising from anharmonicity and dynamical effects, such …