CCI Phase I: NSF Center for Quantum Dynamics on Modular Quantum Devices (CQD-MQD)

美国国家科学基金会模块化量子器件量子动力学中心(CQD-MQD)由化学部化学创新中心(CCI)项目支持。这个一期中心由耶鲁大学的维克多·巴蒂斯塔教授领导。其他团队成员包括耶鲁大学的Michel Devoret教授、普渡大学的Sabre Kais教授、Yeshiva大学的Lea Ferreira Dos Santos教授和密歇根大学的Eitan Geva教授。该项目的动机是，目前在量子计算机可能在化学上有用的问题与今天可以用最先进的量子计算机实际模拟的问题之间存在着巨大的差距。挑战在于，大多数著名的量子计算(QC)算法的硬件要求远远超过当前最先进的量子计算机几个数量级的能力。因此，缩小QC差距对于使QC技术最终可用于反应动力学和光谱学研究至关重要，而不仅仅是迄今开发的相当简单的概念验证应用。展示新一代量子电动力学(CQED)平台，结合量子算法和量子反应动力学的基础研究，有可能改变量子模拟的格局，并导致化学方面的重大进展，并对从生物到材料科学再到工程等其他领域产生影响。CQD-MQD将与耶希瓦大学斯特恩女子学院、耶鲁路径暑期学者计划以及普渡大学和密歇根大学的计划建立合作伙伴关系，以专门建立一个生态系统，以发展一支训练有素的量子信息科学劳动力队伍，并利用量子设备对分子系统进行建模。CQD-MQD的主要目标是通过使用模块化的3D电路量子电动力学(CQED)平台来研究化学过程，该平台可以在硬件水平上高效地实现分子问题。用所提出的量子计算模块研究的量子动力学过程的一个例子是启动脊椎动物视觉过程的光异构化动力学，涉及势能面锥形交叉处的非绝热量子动力学。因此，CQD-MQD将设计由势能面描述的玻色子模块电路，这些势能面直接映射相应的感兴趣的分子哈密顿量，从而能够用全新的、潜在非常有效的量子设备进行量子模拟。CQD-MQD将拥抱包容和多样性的环境，以便将代表性不足的少数群体和妇女纳入跨学科、基于团队的研究。第一阶段的具体目标包括(I)设计用于分子量子动力学模拟的模块化3D电路量子电动力学(CQED)平台，(Ii)在新的cQED平台上开发用于量子模拟和量子计算的算法，以及(Iii)将所开发的玻色子模块化器件和算法应用于光诱导量子反应动力学、振动多体系统和凝聚态量子化学动力学的模拟。CQD-MQD研究和培训计划将建立一个生态系统，重点是招聘和留住女性科学家和代表不足群体的其他成员，以推进这一新兴领域的知识前沿，并培训下一代劳动力。科学和技术成果有可能对化学体系的量子模拟产生变革，并有可能超越传统的量子计算平台，并在广泛的分子系统和量子现象中找到应用。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势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 Dynamics on Modular Quantum Devices (CQD-MQD) is supported by the Centers for Chemical Innovation (CCI) Program of the Division of Chemistry. This Phase I Center is led by Professor Victor Batista from Yale University. Other team members include Professors Michel Devoret from Yale University, Sabre Kais from Purdue University, Lea Ferreira Dos Santos from Yeshiva University, and Eitan Geva from the University of Michigan. The project is motivated by the huge gap that currently exists between the problems for which a quantum computer could be useful in chemistry and what can actually be simulated today with state-of-the-art quantum computers. The challenge is that most well-known quantum computing (QC) algorithms have hardware requirements that far exceed the capabilities of current state-of-the-art quantum computers by several orders of magnitude. Closing that QC gap is thus essential to make QC technology finally available to studies of reaction dynamics and spectroscopy, beyond the rather simple proof-of-concept applications that so far have been developed. Demonstrating a new generation of quantum electro-dynamics (cQED) platforms, in conjunction with quantum algorithms and fundamental studies of quantum reaction dynamics, has the potential to change the landscape of quantum simulations and lead to significant advances in chemistry with impact on other fields ranging from biology to materials science to engineering. Partnerships with the Stern College for Women at Yeshiva University, the Yale Pathways Summer Scholars program, and programs at Purdue and the University of Michigan will be developed to specifically establish an ecosystem for development of a well-trained workforce in quantum information science and in the modeling of molecular systems with quantum devices.The main goal of the CQD-MQD is to investigate chemical processes by using modular 3D circuit quantum electro-dynamics (cQED) platforms that can enable efficient realizations of molecular problems at the hardware level. An example of the type of quantum dynamical processes to be studied with the proposed quantum computing modules is the dynamics of photoisomerization that initiates the process of vision in vertebrates, involving non-adiabatic quantum dynamics at a conical intersection of potential energy surfaces. Thus, the CQD-MQD will design bosonic modular circuits described by potential energy surfaces that directly map the corresponding molecular Hamiltonians of interest, thereby enabling quantum simulations with fundamentally new and potentially very efficient quantum devices. The CQD-MQD will embrace a climate of inclusion and diversity so that underrepresented minorities and women are included in the interdisciplinary, team-based research. Specific goals for Phase I include (i) the design of modular 3D circuit quantum electrodynamics (cQED) platforms for molecular quantum dynamics simulations, (ii) development of algorithms for quantum simulations and quantum computing on the new cQED platforms, and (iii) applications of the developed bosonic modular devices and algorithms to simulations of photo-induced quantum reaction dynamics, vibronic many-body systems; and quantum chemical dynamics in the condensed phase. The CQD-MQD research and training program will establish an ecosystem with emphasis on recruitment and retention of female scientists and other members of underrepresented groups to advance the frontiers of knowledge in this burgeoning field and to train the next-generation workforce. The scientific and technological outcomes have the potential to be transformative for the quantum simulation of chemical systems and have the potential to out-perform conventional quantum computing platforms and find application across a wide range of molecular systems and quantum phenomena.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.