Conspectus We must accelerate the pace at which we make technological advancements to
address climate change and disease risks worldwide. This swifter pace of discovery requires …

Organic chemistry is replete with complex relationships: for example, how a reactant's
structure relates to the resulting product formed; how reaction conditions relate to yield; how …

Materials science and chemistry have played a central and significant role in advancing
society. With the shift toward sustainable living, it is anticipated that the development of …

A mechanistic understanding of catalytic organic reactions is crucial for the design of new
catalysts, modes of reactivity and the development of greener and more sustainable …

The ever-increasing demand for novel materials with superior properties inspires retrofitting
traditional research paradigms in the era of artificial intelligence and automation. An …

Conspectus At the heart of synthetic chemistry is the holy grail of predictable catalyst design.
In particular, researchers involved in reaction development in asymmetric catalysis have …

The physical sciences community is increasingly taking advantage of the possibilities
offered by modern data science to solve problems in experimental chemistry and potentially …

Machine learning (ML) integrated density functional theory (DFT) calculations have recently
been used to accelerate the design and discovery of heterogeneous catalysts such as single …

Drug discovery and development affects various aspects of human health and dramatically
impacts the pharmaceutical market. However, investments in a new drug often go …

Optimizing solution-processed organic solar cells is a complex and challenging task due to
the vast parameter space in organic photovoltaics (OPV). Classical Edisonian or one …