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 …

Recent experiments suggest that ground state chemical reactivity can be modified when
placing molecular systems inside infrared cavities where molecular vibrations are strongly …

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

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

Modeling linear absorption spectra of solvated chromophores is highly challenging as
contributions are present both from coupling of the electronic states to nuclear vibrations and …

The excited-state dynamics of chromophores in complex environments determine a range of
vital biological and energy capture processes. Time-resolved, multidimensional optical …

While dark transitions made bright by molecular motions determine the optoelectronic
properties of many materials, simulating such non-Condon effects in condensed phase …

First-principles modeling of nonlinear optical spectra in the condensed phase is highly
challenging because both environment and vibronic interactions can play a large role in …

Nonadiabatic couplings between several electronic excited states are ubiquitous in many
organic chromophores and can significantly influence optical properties. A recent …

The second order cumulant method offers a promising pathway to predicting optical
properties in condensed phase systems. It allows for the computation of linear absorption …