Abstract Machine learning plays an increasingly important role in many areas of chemistry
and materials science, being used to predict materials properties, accelerate simulations …

The conversion of sunlight into fuels and chemicals is an attractive prospect for the storage
of renewable energy, and photoelectrocatalytic technologies represent a pathway by which …

Accelerating the discovery of advanced materials is essential for human welfare and
sustainable, clean energy. In this paper, we introduce the Materials Project (www …

Understanding how materials that catalyse the oxygen evolution reaction (OER) function is
essential for the development of efficient energy-storage technologies. The traditional …

Data‐driven science is heralded as a new paradigm in materials science. In this field, data is
the new resource, and knowledge is extracted from materials datasets that are too big or …

Photocatalytic water splitting is considered one of the most important and appealing
approaches for the production of green H2 to address the global energy demand. The …

The multi-redox mechanism involving multi-sites has great implications to dictate the
catalytic water oxidation. Understanding the sequential dynamics of multi-steps in oxygen …

Solar energy is attractive because it is free, renewable, abundant and sustainable.
Photocatalysis is one of the feasible routes to utilize solar energy for the degradation of …