The Quantum Information Science Challenge for Chemistry

Abstract

We discuss the goals and the need for quantum information science (QIS) in chemistry. It is important to identify concretely how QIS matters to chemistry, and we articulate some of the most pressing and interesting research questions at the interface between chemistry and QIS, that is, “chemistry-centric” research questions relevant to QIS. We propose in what ways and in what new directions the field should innovate, in particular where a chemical perspective is essential. Examples of recent research in chemistry that inspire scrutiny from a QIS perspective are provided, and we conclude with a wish list of open research problems.