RAISE: TAQS: Fast multiqubit control of high-coherence transmons for efficient quantum chemistry simulations

量子化学是中等大小量子计算机最有前途的近期应用之一。量子计算机是利用量子力学原理进行计算的设备。其目标是使用现有最强大的超级计算机来解决难以解决的问题。这一研究项目旨在推进使用量子计算机进行分子模拟。研究小组正在开发在相对较小和高度专业化的量子设备上对大分子进行编码的方法。这些设备由最先进的超导电路组成，采用高精度的控制方案。在这个为期四年的项目中，正在采取一种结合物理、化学、工程和材料科学专业知识的跨学科方法来模拟日益复杂的分子。进行这种模拟的能力可能会对科学、技术和医学应用产生革命性的影响，例如材料和药物设计。拟议研究的各个方面也直接影响量子计算，这对国家安全有着众所周知的影响。此外，该项目还有助于量子信息科学下一代研究人员的跨学科教育。该研究团队还致力于推广工作，包括指导高中生和建立旨在吸引化学学生进入量子信息科学领域的活动。最大尺寸的量子计算机有望以高模拟精度超过经典设备解决量子化学问题的能力。该项目旨在通过开发一种方法来解决量子设备中的量子化学问题，在这种方法中，轨道被编码在较少的高度优化的量子比特中，使用由快速、高保真的量子门控制的最先进的超导电路。多学科研究团队设计、实施和优化了高度连接的传输子平台，这些平台是为模拟强关联分子而量身定做的。这项研究的主要内容包括：(I)分子和量子处理器之间的新型映射，它利用有效的哈密顿量和附加能级(Qudits)；(Ii)使用标准工具箱之外的超快两量子位纠缠门和多量子位门实现的高效态准备协议；(Iii)基于约瑟夫森结的高相干器件，其器件连接受有效哈密顿量、态准备协议和量子门设计的指导。通过在量子化学算法、设备、材料和量子控制方面的相互了解的进展来模拟日益复杂的分子。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。

Quantum chemistry is one of the most promising near-term applications of modest-sized quantum computers. Quantum computers are devices that exploit the principles of quantum mechanics for computation. The goal is to solve problems that are intractable using even the most powerful supercomputers available. This research project aims to advance the simulation of molecules using quantum computers. The research team is developing methods to encode large molecules on relatively small and highly specialized quantum devices. These devices are made from state-of-the-art superconducting circuits operated with high-precision control schemes. A transdisciplinary approach that combines expertise in Physics, Chemistry, Engineering, and Materials Science is being taken to simulate molecules of increasing complexity over the course of the four-year project. The ability to perform such simulations could have a transformative effect on scientific, technological, and medicine applications, such as materials and drug design. Aspects of the proposed research also directly impact quantum computing, which has well-known repercussions for national security. Furthermore, this project contributes to the interdisciplinary education of the next generation of researchers in quantum information science. The research team also engages in outreach efforts which include mentoring high school students and establishing activities aimed at attracting Chemistry students into the field of Quantum Information Science.Modest-sized quantum computers are expected to surpass the capabilities of classical devices in solving quantum chemistry problems with high simulation accuracy. This project aims to solve quantum chemistry problems in quantum devices by developing an approach in which the orbitals are encoded in a smaller number of highly optimized qubits, using state-of-the-art superconducting circuits controlled with fast, high-fidelity quantum gates. The multi-disciplinary research team designs, implements, and optimizes platforms of highly connected transmons tailored to simulate strongly correlated molecules. Key elements of this research are: (i) Novel mappings between molecules and quantum processors that leverage effective Hamiltonians and additional levels in the transmons (qudits); (ii) Highly efficient state preparation protocols implemented with ultrafast two-qubit entangling gates and multi-qubit gates beyond the standard toolbox; (iii) High-coherence devices based on Josephson junctions, with device connectivity guided by the effective Hamiltonians, state preparation protocols, and quantum gate designs. Molecules of increasing complexity are simulated through mutually informed advances in quantum chemistry algorithms, devices, materials, and quantum control.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.