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

量子化学是中型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。目标是用最强大的超级计算机来解决难以解决的问题。该研究项目旨在利用量子计算机推进分子模拟。研究小组正在开发在相对较小且高度专业化的量子设备上编码大分子的方法。这些设备由最先进的超导电路制成，采用高精度控制方案。在为期四年的项目中，将采用跨学科的方法，结合物理、化学、工程和材料科学的专业知识来模拟日益复杂的分子。执行这种模拟的能力可能会对科学、技术和医学应用（如材料和药物设计）产生变革性影响。拟议研究的一些方面也直接影响到量子计算，这对国家安全有着众所周知的影响。此外，该项目有助于下一代量子信息科学研究人员的跨学科教育。研究小组还开展了拓展工作，包括指导高中学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。中等大小的量子计算机有望超越经典设备的能力，以高模拟精度解决量子化学问题。该项目旨在通过开发一种方法来解决量子器件中的量子化学问题，在这种方法中，轨道被编码在较少数量的高度优化的量子比特中，使用最先进的超导电路，由快速、高保真的量子门控制。该多学科研究团队设计、实现并优化了高度连接的传输平台，以模拟高度相关的分子。本研究的关键要素是：(i)分子和量子处理器之间的新映射，利用有效的哈密顿子和传递子（qudit）中的附加水平；（ii）超越标准工具箱的超快双量子位纠缠门和多量子位门实现的高效状态制备协议；（iii）基于约瑟夫森结的高相干器件，器件连接由有效哈密顿量、状态制备协议和量子门设计指导。通过量子化学算法、器件、材料和量子控制方面相互通报的进展，模拟了日益复杂的分子。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。

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.