Electrocatalysts and photocatalysts are key to a sustainable future, generating clean fuels,
reducing the impact of global warming, and providing solutions to environmental pollution …

Heterogeneous catalysis underpins a wide variety of industrial processes including energy
conversion, chemical manufacturing and environmental remediation. Significant advances …

Catalyst discovery and optimization is key to solving many societal and energy challenges
including solar fuel synthesis, long-term energy storage, and renewable fertilizer production …

The solar‐energy‐driven photoreduction of CO2 has recently emerged as a promising
approach to directly transform CO2 into valuable energy sources under mild conditions. As a …

The design of heterogeneous catalysts relies on understanding the fundamental surface
kinetics that controls catalyst performance, and microkinetic modeling is a tool that can help …

Abstract Machine learning (ML) is rapidly revolutionizing many fields and is starting to
change landscapes for physics and chemistry. With its ability to solve complex tasks …

The discovery and development of catalysts and catalytic processes are essential
components to maintaining an ecological balance in the future. Recent revolutions made in …

We present an approach for a probabilistic and unbiased discovery of selective and active
catalysts for the carbon dioxide (CO2) and carbon monoxide (CO) reduction reactions on …

Materials databases generated by high-throughput computational screening, typically using
density functional theory (DFT), have become valuable resources for discovering new …

Big data and artificial intelligence has revolutionized science in almost every field–from
economics to physics. In the area of materials science and computational heterogeneous …