Electronically excited states of molecules are at the heart of photochemistry, photophysics,
as well as photobiology and also play a role in material science. Their theoretical description …

Theoretical simulations of electronic excitations and associated processes in molecules are
indispensable for fundamental research and technological innovations. However, such …

Over the past decade, the wide-scale adoption of artificial intelligence (AI) and machine
learning (ML) has transformed the landscape of scientific research and development, which …

Recent advances in machine learning (ML) offer new tools to extract new insights from large
data sets and to acquire small data sets more effectively. Researchers in nanoscience are …

Environmental stability of perovskite solar cells (PSCs) has been improved by trial-and-error
exploration of thin low-dimensional (LD) perovskite deposited on top of the perovskite …

Donor–acceptor (D–A) thermally activated delayed fluorescence (TADF) molecules are
exquisitely sensitive to D–A dihedral angle. Although commonly simplified to an average …

The field of chiral plasmonics has registered considerable progress with machine-learning
(ML)-mediated metamaterial prototyping, drawing from the success of ML frameworks in …

Luminescent materials are continually sought for application in solid-state LED-based
lighting and display applications. This has traditionally required extensive experimental …

Slow hot carrier cooling in halide perovskites holds the key to the development of hot carrier
(HC) perovskite solar cells. For accurate modeling and pragmatic design of HC materials …

The compositional tunability of non‐isovalent multicomponent chalcogenide thin films and
the extent of atomic ordering of their crystal structure is key to the performance of many …