Coherence refers to correlations in waves. Because matter has a wave-particle nature, it is
unsurprising that coherence has deep connections with the most contemporary issues in …

Supramolecular chemistry focuses on the molecular recognition and self-assembly of
various building blocks through weak non-covalent interactions, including anion–π …

We propose a machine learning (ML)-based strategy for an inexpensive calculation of
excitonic properties of light-harvesting complexes (LHCs). The strategy uses classical …

The accurate but fast calculation of molecular excited states is still a very challenging topic.
For many applications, detailed knowledge of the energy funnel in larger molecular …

Establishing the fundamental chemical principles that govern molecular electronic quantum
decoherence has remained an outstanding challenge. Fundamental questions such as how …

We describe a method for simulating exciton dynamics in protein–pigment complexes,
including effects from charge transfer as well as fluorescence. The method combines the …

Besides absorbing light, the core antenna complex CP43 of photosystem II is of great
importance in transferring excitation energy from the antenna complexes to the reaction …

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 …

Although recent advances in simulating open quantum systems have led to significant
progress, the applicability of numerically exact methods is still restricted to rather small …