This review covers a family of atomistic, mostly quantum chemistry (QC) based
semiempirical methods for the fast and reasonably accurate description of large molecules …

Solar-to-chemical energy conversion for the generation of high-energy chemicals is one of
the most viable solutions to the quest for sustainable energy resources. Although long …

Photochemical CO2 reduction using ubiquitous sunlight akin to natural photosynthesis is an
effective approach for conversion of renewable energy into useful chemical feedstock …

This two‐part Review examines how automation has contributed to different aspects of
discovery in the chemical sciences. In this first part, we describe a classification for …

Synthetic polymers are versatile and widely used materials. Similar to small organic
molecules, a large chemical space of such materials is hypothetically accessible …

In this perspective article, we review some of the most recent advances in the emerging field
of organic materials as the electroactive component in solid electrodes for batteries. These …

Polyhydroxyalkanoates (PHAs) are an emerging type of bioplastic that have the potential to
replace petroleum-based plastics. They are biosynthetizable, biodegradable, and …

Machine learning methods have shown promise in predicting molecular properties, and
given sufficient training data, machine learning approaches can enable rapid high …

Organic electrode materials (OEMs) combine key sustainability and versatility properties
with the potential to enable the realisation of the next generation of truly green battery …

Accelerating the development of π-conjugated molecules for applications such as energy
generation and storage, catalysis, sensing, pharmaceuticals, and (semi) conducting …