Alán Aspuru-Guzik

TL;DR: In this article, a generative adversarial network was proposed to predict the Mg-Mn-O ternary materials with the theoretical evaluation of their photoanode properties for high-throughput virtual screening (HTVS).

TL;DR: This work focuses on the development of donor materials for organic photovoltaics by means of a cheminformatics approach, and forms empirical models, parametrized using a training set of donor polymers with available experimental data, for the important current–voltage and efficiency characteristics of candidate molecules.

TL;DR: In this article, the authors established a bridge between the fields of photonics and excitonics by describing the present understanding of exciton dynamics in molecular aggregates, which can be found in nature, in photosynthetic complexes of plants and bacteria, and can also be produced artificially in various forms including quasi-one dimensional chains, two-dimensional films, tubes, etc.

TL;DR: In this article, the authors explored the chemical space of over 51,000 non-fullerene acceptors featuring 106 common moieties from the organic electronics literature, including naphthalene diimides, benzathiadiazoles, and fused fluoroanthenediimides.