Alán Aspuru-Guzik

TL;DR: In this paper, the role of quantum interference effects in energy transfer dynamics of molecular arrays interacting with a thermal bath within the Lindblad formalism is investigated, and different physical effects of coherence and decoherence processes are explored via a universal measure for the energy transfer efficiency and its susceptibility.

TL;DR: The core of the book is the section on pump-probe spectroscopy as on understanding its mathematical description, more complex and multidimensional spectroscopies become easily understood derivatives and readers will be fully equipped with the tools to devise and undertake well-reasoned spectroscopic experiments.

TL;DR: The MultiDK method improves both the speed and accuracy of molecular property prediction and applies the method to the discovery of electrolyte molecules for aqueous redox flow batteries to obtain more relevant features for machine learning.

TL;DR: Golem as discussed by the authors is an algorithm that is agnostic to the choice of experiment planning strategy and that enables robust experiment and process optimization by identifying optimal solutions that are robust to input uncertainty, thus ensuring the reproducible performance of optimized experimental protocols and processes.