The Quantum Information Science Challenge for Chemistry

Gregory D. Scholes; Alexandra Olaya-Castro; Shaul Mukamel; Adam Kirrander; Kang Kuen Ni; Gordon J. Hedley; Natia L. Frank

doi:10.1021/acs.jpclett.4c02955

The Quantum Information Science Challenge for Chemistry

Gregory D. Scholes, Alexandra Olaya-Castro, Shaul Mukamel, Adam Kirrander, Kang Kuen Ni, Gordon J. Hedley, Natia L. Frank

Research output: Contribution to journal › Review article › peer-review

1 Scopus citations

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.

Original language	English (US)
Pages (from-to)	1376-1396
Number of pages	21
Journal	Journal of Physical Chemistry Letters
Volume	16
Issue number	5
DOIs	https://doi.org/10.1021/acs.jpclett.4c02955
State	Published - Feb 6 2025

All Science Journal Classification (ASJC) codes

General Materials Science
Physical and Theoretical Chemistry

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10.1021/acs.jpclett.4c02955

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title = "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.",

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AU - Scholes, Gregory D.

AU - Olaya-Castro, Alexandra

AU - Mukamel, Shaul

AU - Kirrander, Adam

AU - Ni, Kang Kuen

AU - Hedley, Gordon J.

AU - Frank, Natia L.

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AB - 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.

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The Quantum Information Science Challenge for Chemistry

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