CCI Phase I: NSF Center for Synthesizing Quantum Coherence

CCI 第一阶段：NSF 量子相干合成中心

• 批准号: 1925690
• 负责人: David Beratan
• 金额: $ 180万
• 依托单位: Duke University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2019
• 资助国家: 美国
• 起止时间: 2019-09-01 至 2024-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1925690&HistoricalAwards=false
• 关键词: CCI; Phase; NSF; Center; Synthesizing

The CCI Phase I: Center for Synthesizing Quantum Coherences (CSQC) is supported by the Centers for Chemical Innovation (CCI) Program of the Division of Chemistry. This Phase I Center is led by Professor David Beratan of Duke University. Other team members include Professors Michael Therien (also of Duke University), Michael Wasielewski (Northwestern University), Graham Fleming (University of California-Berkeley), and Nancy Makri (University of Illinois at Urbana-Champaign). Collisions between atoms and molecules are typically random events, and even if two reactants collide, the force of the collision may not be sufficient to cause them to react with each other. Despite this randomness, chemists have become quite good at predicting the rates and outcomes of chemical reactions. However, if we wish to control chemical reactions so that they yield only desired products or to capture energy or transport information, randomness must be minimized. The goal of the CSQC is to understand how chemical processes can be designed to be "coherent." An example of a coherent process is the light emitted from a laser. The photons generated by the laser move "in sync" with each other (the technical term is "in phase"). Other light sources (incandescent or compact fluorescent bulbs, for example) emit photons in a random fashion. Thus, the CSQC is designing and synthesizing molecules and assemblies of molecules where the motions of the atoms and electrons within them can be coherent, like the photons in a laser beam. Coherent processes have the potential to change how we control chemical reactions, as well as greatly expand the range of useful applications of chemistry (for example, by developing new technologies for sensing, computing, materials science, and biomedicine). The CSQC works to ensure that that a Center climate of inclusion and diversity is embraced so that underrepresented minority and women students are included in the interdisciplinary, team-based research. The students at all sites will be trained by Duke's Program in Science Communication to explain the significance of their research to a broad audience, contributing to our society's scientific literacy, as well as creating core knowledge of use to the chemistry community.The goal of CSQC is to discover how coherent dynamic processes in electronically excited multi-chromophoric systems and single-walled carbon nanotube superstructures enable the collection, manipulation, and direction of energy, charge, and spin in ways that challenge classical conceptions of temperature and reaction rates. The team applies the tools of synthesis, molecular and nanoscale design, 2D electronic and electronic-vibrational spectroscopies, pulse-EPR spectroscopy, and theoretical/computational quantum chemistry to understand the coherent flow of electronic excited states and charges, along with their coherent spin-spin interactions, through precisely tailored nanostructures and molecules. The development of the underlying principles will have wide ranging impact in areas related to quantum information systems, energy conversion, molecular sensing, and quantum computing. Students receive training in a wide spectrum of disciplines (chemical synthesis, laser technology, theory and computation) as well as in science communication.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.

CCI I期：合成的量子相干中心（CSQC）得到化学创新中心（CCI）化学划分计划的支持。 I阶段中心由杜克大学的David Beratan教授领导。其他团队成员包括迈克尔·塞里恩（Michael Therien）（也是杜克大学），迈克尔·瓦西耶夫斯基（Michael Wasielewski）（西北大学），格雷厄姆·弗莱明（Graham Fleming）（加利福尼亚大学 - 伯克利大学）和南希·马克里（Nancy Makri）（伊利诺伊大学Urbana-Champaign）。原子和分子之间的碰撞通常是随机事件，即使两个反应物相撞，碰撞的力可能不足以使它们彼此反应。尽管有这种随机性，化学家仍然擅长预测化学反应的速率和结果。但是，如果我们希望控制化学反应，以便它们仅产生所需的产品或捕获能量或传输信息，则必须最小化随机性。 CSQC的目的是了解如何设计化学过程“连贯”。相干过程的一个例子是从激光发出的光。激光移动“同步”（技术术语为“相位”）产生的光子。其他光源（例如，白炽灯或紧凑的荧光灯）以随机的方式发出光子。因此，CSQC正在设计和合成分子的分子和组件，其中它们内部原子和电子的运动可能是相干的，例如激光束中的光子。连贯的过程有可能改变我们控制化学反应的方式，并大大扩展了化学的有用应用范围（例如，通过开发用于感测，计算，材料科学和生物医学的新技术）。 CSQC致力于确保包容和多样性的中心气氛被接受，以使代表性不足的少数群体和女学生被包括在跨学科的，基于团队的研究中。 The students at all sites will be trained by Duke's Program in Science Communication to explain the significance of their research to a broad audience, contributing to our society's scientific literacy, as well as creating core knowledge of use to the chemistry community.The goal of CSQC is to discover how coherent dynamic processes in electronically excited multi-chromophoric systems and single-walled carbon nanotube superstructures enable the collection, manipulation, and direction of energy,充电，并以挑战温度和反应速率的经典概念的方式旋转。该团队应用了合成，分子和纳米级设计，2D电子和电子振动光谱，脉冲 - EPR光谱以及理论/计算量子化学化学的工具，以通过预先量身定制的Nananostress和Molecules和Molecules和Molecules的相干体积相互作用来了解电子激发态和电荷的一致流动，并通过其相干的Spins互动。基本原则的发展将对与量子信息系统，能量转换，分子传感和量子计算相关的区域产生广泛的影响。学生接受各种学科的培训（化学综合，激光技术，理论和计算）以及科学通信。该奖项反映了NSF的法定任务，并被认为是值得通过基金会的智力优点和更广泛的影响来通过评估来支持的。

项目成果

Charge Transfer and Spin Dynamics in a Zinc Porphyrin Donor Covalently Linked to One or Two Naphthalenediimide Acceptors

• DOI: 10.1021/acs.jpca.0c10471
• 发表时间: 2021-01-15
• 期刊: JOURNAL OF PHYSICAL CHEMISTRY A
• 影响因子: 2.9
• 作者: Bancroft, Laura;Zhang, Jinyuan;Wasielewski, Michael R.
• 通讯作者: Wasielewski, Michael R.

Improving the efficiency of open-quantum-system simulations using matrix product states in the interaction picture

使用交互图中的矩阵乘积状态提高开放量子系统模拟的效率

• DOI: 10.1103/physreva.105.032406
• 发表时间: 2022
• 期刊: Physical Review A
• 影响因子: 2.9
• 作者: Liu, Kai T.;Beratan, David N.;Zhang, Peng
• 通讯作者: Zhang, Peng

Coupling between Harmonic Vibrations Influences Quantum Beating Signatures in Two-Dimensional Electronic Spectra

• DOI: 10.1021/acs.jpcc.1c09432
• 发表时间: 2022-01-04
• 期刊: JOURNAL OF PHYSICAL CHEMISTRY C
• 影响因子: 3.7
• 作者: Schultz，Jonathan D.;Kim，Taeyeon;Wasielewski，Michael R.
• 通讯作者: Wasielewski，Michael R.

Quantum quench and coherent–incoherent dynamics of Ising chains interacting with dissipative baths

伊辛链与耗散浴相互作用的量子淬灭和相干-非相干动力学

• DOI: 10.1063/5.0066891
• 发表时间: 2021
• 期刊: The Journal of Chemical Physics
• 作者: Dani, Reshmi;Makri, Nancy
• 通讯作者: Makri, Nancy

Light Directs Monomer Coordination in Catalyst-Free Grignard Photopolymerization

光引导无催化剂格氏光聚合中的单体配位

• DOI: 10.1021/jacs.1c09595
• 发表时间: 2021
• 期刊: Journal of the American Chemical Society
• 影响因子: 15
• 作者: Woods, Eliot F.;Berl, Alexandra J.;Kantt, Leanna P.;Eckdahl, Christopher T.;Wasielewski, Michael R.;Haines, Brandon E.;Kalow, Julia A.
• 通讯作者: Kalow, Julia A.