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 …

The topological properties of an object, associated with an integer called the topological
invariant, are global features that cannot change continuously but only through abrupt …

The skin, a self-regulating protective barrier organ, is empowered with sensory and
computing capabilities to counteract the environmental stressors to maintain and restore …

In recent years, deep learning has become a part of our everyday life and is revolutionizing
quantum chemistry as well. In this work, we show how deep learning can be used to …

Photo-induced processes are fundamental in nature but accurate simulations of their
dynamics are seriously limited by the cost of the underlying quantum chemical calculations …

Ultraviolet light is strongly absorbed by DNA, producing excited electronic states that
sometimes initiate damaging photochemical reactions. Fully map** the reactive and …

A detailed understanding of the properties of electronic excited states and the reaction
mechanisms that molecules undergo after light irradiation is a fundamental ingredient for …

The excited state intramolecular proton transfer (ESIPT) mechanisms of 2-(2-hydroxyphenyl)
benzoxazole (HBO), bis-2, 5-(2-benzoxazolyl)-hydroquinone (BBHQ) and 2, 5-bis (5′-tert …

Fluorescent nucleoside analogues (FNAs) are structurally diverse mimics of the natural
essentially non-fluorescent nucleosides which have found numerous applications in probing …

Nonadiabatic events, in which the Born-Oppenheimer approximation breaks down, are
ubiquitous in chemistry and biology. It is now widely accepted that they are facilitated by …