Alán Aspuru-Guzik

TL;DR: This work proposes a novel strategy, quantum process tomography (QPT), for ultrafast spectroscopy and applies it to reconstruct the evolving quantum state of excitons in double-walled supramolecular light-harvesting nanotubes at room temperature from eight narrowband transient grating experiments, constituting the first experimental QPT in a "warm" and complex system.

TL;DR: In 2018, Digital Discovery celebrated its first anniversary as discussed by the authors and introduced the Digital Discovery Challenge, a competition for the first-ever digital discovery challenge, which was won by Discovery's winner.

TL;DR: It is shown that ML models can be trained to be transferable across a broad range of spectral resolutions, and that the electronic couplings can be predicted from the simulated spectra with an 88 % accuracy when ML models are used as classifiers.

TL;DR: In this article, the role of quantum coherence, dephasing, relaxation and other elementary processes in energy transfer efficiency in photosynthetic complexes, based on the information obtained from the atomistic simulations, or, using QPT, directly from the experiment.