Collaborative Research: EAGER: Theoretical development of a general purpose molecular collision simulator

我们正在探索利用超导电路制作通用量子模拟器(含时薛定谔方程解算器)的理论方法，分子碰撞理论是主要应用。我们的设计算法将利用加州大学圣巴巴拉分校超导量子计算计划现有和演示的设备和功能，最终目标是在大约五年内演示分子碰撞的小型模拟。我们将使用现有的约瑟夫森结(JJ)电路进行初步测试和演示。量子模拟体系结构应该通过提供极大增加的计算能力来改变计算量子力学，以便为给定的、但一般的依赖于时间的哈密顿量求解薛定谔方程。原子和分子散射的应用为这种方法提供了一个天然的试验台，并有望在化学、物理和天体物理学方面产生立竿见影的效果。通用量子模拟器的开发将是探索量子计算机的一个重要里程碑。使用固态设备来模拟分子系统是对其他使用原子系统来研究凝聚态问题的量子模拟方案的补充。对研究生和博士后的教育和培训，包括妇女和其他代表不足的群体，将融入研究的方方面面。

We are in the exploratory stages of developing theoretical methods to use superconducting electrical circuits to make a general purpose quantum simulator (time-dependent Schrodinger equation solver), with molecular collision theory as the principal application,. Our design algorithms will utilize the existing and demonstrated devices and functionality available from the UC Santa Barbara superconducting quantum computation program, with the ultimate aim of demonstrating small simulations of molecular collisions in about five years. We will use existing Josephson Junction (JJ) circuits for preliminary testing and demonstration. The quantum simulation architecture should transform computational quantum mechanics by providing vastly increased computational power for solving the Schrodinger equation for a given, but general, time-dependent Hamiltonian. Application to atomic and molecular scattering provides a natural test bed for this approach and promises results of immediate interest in chemistry, physics, and astrophysics. The development of a general purpose quantum simulator would be an important milestone in the quest for a quantum computer. The use of solid-state devices to simulate molecular systems is complementary to other quantum simulation proposals that use atomic systems to study condensed matter problems. The education and training of graduate students and postdocs, including women and other underrepresented groups, involved in our program will be integrated with every aspect of the research.