eScience Infrastructures in Physical Chemistry.

As the volume of data associated with scientific research has exploded over recent years, the use of digital infrastructures to support this research and the data underpinning it has increased significantly. Physical chemists have been making use of eScience infrastructures since their conception, but in the last five years their usage has increased even more. While these infrastructures have not greatly affected the chemistry itself, they have in some cases had a significant impact on how the research is undertaken.

The AI for Scientific Discovery Network.

The Artificial Intelligence and Augmented Intelligence for Automated Investigation for Scientific Discovery Network (AI3SD) was established in response to the UK Engineering and Physical Sciences Research Council (EPSRC) late-2017 call for a Network to promote cutting-edge research in artificial intelligence to accelerate groundbreaking scientific discoveries. This article provides the philosophical, scientific, and technical underpinnings of the Network, the history of the different domains represented in the Network, and the specific focus of the Network. The activities, collaborations, and research covered in the first year of the Network have highlighted the significant challenges in the chemistry and augmented and artificial intelligence space.