The National Academies of Sciences, Engineering, and Medicine will convene an ad hoc committee of experts and scientific leaders to identify opportunities and research priorities at the interface of quantum information science (QIS) and chemistry. Specifically, the committee will accomplish the following tasks:
• Assess recent and ongoing research in QIS and advances in quantum information processing and technology that have the potential to transform various aspects of chemistry research. For example, the committee will consider how advances in quantum computing and quantum algorithms can impact the ability to simulate chemical systems; how quantum sensors can impact the ability to monitor and understand chemical systems and mechanisms; how quantum coherence can be used to modulate chemical reactivity; and how other quantum approaches (e.g., spectroscopies that exploit quantum phenomena including methods using entangled photons) can impact our understanding of chemical systems, including complex chemical systems such as those in the biological chemistry and nanochemical domains, and our ability to image them.
• Assess recent and ongoing research in chemistry that draws upon chemistry’s unique capabilities in the synthesis, measurement, and modeling of molecular systems to advance QIS. For example, the committee will consider research efforts to understand and control quantum phenomena in molecular systems and chemical environments that could be exploited in quantum systems, such as quantum sensors and quantum computers; and the design and synthesis of novel molecular systems that manifest desired quantum behavior, including new systems with potential deployment as quantum qubits or qudits.
• Recommend fundamental research in target areas with both near- and long-term potential to advance QIS through chemistry-based approaches and comment on its potential to lead to transformational changes in science and technology.
• Identify the collaborations needed across chemistry, biochemistry, material science, physics, engineering, and information science that will be essential for scientific progress at the intersection of chemistry and QIS, as well as assess the barriers to entry that may be limiting the size and breadth of the chemistry research community working in QIS.
• Identify needs and opportunities for infrastructure, instrumentation, and tools, ranging from laboratory scale to mid-scale to large scale (i.e., user facilities), with the potential to advance QIS through chemistry and to maximize the impact of QIS on chemistry. Identify needs and challenges for the development of a diverse, quantum-capable workforce.
The committee’s report will provide guidance to the research communities in government, academia, and industry. The report’s recommendations will focus on science needs and priorities rather than specific funding or organizational aspects.