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

我们正处于开发理论方法的探索阶段，使用超导电路来制作通用量子模拟器（含时薛定谔方程求解器），并将分子碰撞理论作为主要应用。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的和已演示的设备和功能，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。量子模拟架构应该通过为给定但一般的时间依赖的哈密顿量提供极大增加的计算能力来解决薛定谔方程，从而改变计算量子力学。原子和分子散射的应用为这种方法提供了一个自然的测试平台，并承诺在化学，物理学和天体物理学中立即感兴趣的结果。通用量子模拟器的开发将是量子计算机研究的一个重要里程碑。使用固态装置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建议的补充。研究生和博士后的教育和培训，包括妇女和其他代表性不足的群体，参与我们的计划将与研究的各个方面相结合。

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.