CCI Phase 1: NSF Center for Quantum Electrodynamics for Selective Transformations (QuEST)

NSF选择性转化量子电动力学中心（QuEST）是由化学创新中心（CCI）项目支持的。《探索之旅》由罗切斯特大学的Todd Krauss执导，团队成员包括罗切斯特大学的霍鹏飞、William Jones和Nick Vamivakas，北卡罗来纳大学教堂山分校的Jillian Dempsey，德克萨斯大学圣安东尼奥分校的Nicolas Large和Zachary Tonzetich，西北大学的Teri Odom和威斯康星大学麦迪逊分校的Daniel Weix。更好的治疗疾病的药物的开发，既负担得起又可持续的新材料，以及利用可再生能源的新方法都依赖于新分子的合成。在制造新分子时，化学家通常会受到一套既定的“规则”的约束，即给定分子会如何反应，不会如何反应。现有的调整化学合成结果的工具数量有限，例如通过改变温度、在反应上照射光线或使用金属催化剂。然而，化学反应的结果在很大程度上是由反应分子本身的基本性质预先决定的。QuEST的目标是发现一种新的工具，它将允许开发目前不可能的新化学反应。QuEST将通过在光学腔内进行化学反应来实现这一点。在光学腔中，光最好被描述为由称为光子的离散量子组成。当这种来自腔内的量子光在化学反应中与反应物分子强烈相互作用时，这些分子就会从根本上发生改变，从而开启新型化学反应。通过简单地改变传递给系统的光的性质来指导化学反应结果的能力代表了一种全新的方式来调整特定的化学合成，这反过来又有可能改变化学合成的方法，并对社会有广泛的好处。QuEST还将培养该领域未来的领导者，确保他们做好充分准备，将量子科学应用于化学的兴奋传达给广大受众，并努力建立一支真正多样化的发展量子化学研究人员队伍。CCI第一阶段NSF选择性转换量子电动力学中心旨在发现独特的选择性化学功能化，这种功能化是由物质和光学腔的量子光的强相互作用实现的。QuEST正在探索一种全新的工具，用于选择性有机化学的发展，利用光学腔极化子，混合光物质准粒子，以类似于化学催化剂的方式。QuEST汇集了有机，无机，材料，理论和物理化学以及量子光学的方法和方法。QuEST的目标是建立对极化子如何影响与化学相关的分子性质（如势能面）的清晰理解，并开发有效的方法来为溶液中的各种分子创建极化子。选择第一阶段的模型化学反应来测试极化化学的基本机理和基本原理。除了严格的科学训练外，QuEST还将指导学生将量子化学科学带给广大受众的最佳实践。通过为代表性不足的本科生提供科学体验，努力增加科学管道的多样性，并将QuEST科学转化为高中实验室活动、社交媒体对话和适合所有年龄段的便携式博物馆展览。本CCI提出了一个大胆的愿景，以促进一个全新的新兴领域的发展：利用量子电动力学原理来实现选择性化学。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

The NSF Center for Quantum Electrodynamics for Selective Transformations (QuEST) is supported by the Centers for Chemical Innovation (CCI) Program of the Division of Chemistry. QuEST is directed by Todd Krauss at the University of Rochester, with a team that includes Pengfei Huo, William Jones and Nick Vamivakas all from the University of Rochester, Jillian Dempsey at the University of North Carolina-Chapel Hill, Nicolas Large and Zachary Tonzetich from the University of Texas-San Antonio, Teri Odom from Northwestern University and Daniel Weix from the University of Wisconsin-Madison. The development of better drugs to treat diseases, new materials that are both affordable and sustainable, and new ways to harness renewable energy all depend upon the synthesis of new molecules. When making new molecules, chemists are generally bound by a well-established set of “rules” for how a given molecule will and will not react. A limited number of tools exist to tune the result of a chemical synthesis, such as by varying the temperature, shining light on the reaction, or using a metal catalyst. However, the outcomes of a chemical reaction are largely pre-determined by the fundamental nature of the reacting molecules themselves. The goal of QuEST is to discover a new tool that will allow the development of new chemical reactions that are not currently possible. QuEST will do this by performing chemical reactions inside an optical cavity. In an optical cavity, light is best described as consisting of discrete quanta called photons. When such quantum-light from inside the cavity strongly interacts with the reactant molecules in a chemical reaction, the molecules are fundamentally altered in a manner that should unlock new types of chemical reactions. The ability to direct the outcomes of chemical reactions by simply changing properties of light delivered to the system represents a completely new way to tune a particular chemical synthesis, which, in turn, has the potential to transform approaches to chemical synthesis and have broad benefits to society. QuEST will also train future leaders in the field, ensuring that they are well-prepared to communicate the excitement of quantum science applied to chemistry to a broad audience, and striving to build a cohort of developing quantum chemistry researchers that is truly diverse.The CCI Phase I NSF Center for Quantum Electrodynamics for Selective Transformations aims to discover uniquely selective chemical functionalizations that are enabled by the strong interaction of matter and the quantum light of an optical cavity. QuEST is exploring a fundamentally new tool for the development of selective organic chemistry by utilizing optical cavity polaritons, hybrid light-matter quasiparticles, in a manner similar to chemical catalysts. QuEST brings together methods and approaches from across organic, inorganic, materials, theoretical, and physical chemistry as well as quantum optics. QuEST aims to establish a clear understanding of how polaritons influence properties of molecules relevant for chemistry--such as potential energy surfaces--and develop effective methods to create polaritons for a broad array of molecules in solution. Model chemical reactions in Phase I have been chosen to test the fundamental mechanism and basic principles of polariton chemistry. In addition to rigorous scientific training, QuEST will instruct students in best practices for bringing quantum-chemical science to a broad audience. Efforts will be directed toward increasing diversity in the scientific pipeline through science experiences for underrepresented undergraduate students, as well as translating QuEST science into high-school laboratory activities, social media dialogues, and portable museum exhibits appropriate for all ages. This CCI presents a bold vision for facilitating the growth of an entirely new and emerging field: using quantum electrodynamics principles to enable selective chemistry.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.