Open-System Quantum Many-Body Entangled Dynamics of Ultracold Molecules

量子力学是我们目前的许多技术的基础，包括计算。然而，关于量子力学的许多问题仍然没有解决或悬而未决，特别是在动力学和开放系统领域。探索量子力学的新机制使我们能够推动下一代计算和其他未来技术。获得这一洞察力的一个关键实验背景是超冷分子，在那里我们可以非常精确地控制量子问题的许多方面。在此背景下，本项目支持开发大规模的开源代码，以推动此类实验的推进。代码在高性能计算机上运行。学生在严格的数值技术和高性能并行计算方面的培训是在从材料基因组倡议到空间计划的许多社会领域取得成功的关键。这个项目将训练学生在不同的研究环境中。随着更复杂的分子接近量子简并，描述它们的多体模型的数量和复杂性也将大幅增加。此外，寻找浮现现象，如量子相位和强健的动力学现象，需要探索巨大的参数空间，并使用许多不同的系统大小进行外推。为了迎接这些挑战，研究人员寻求新的方法来设计和调度模拟以及收集和解释数据。要想产生长期影响，开放源码工具必须灵活，以适应不同的物理自由度、不同的哈密顿量和不同的动力学过程；它们必须高效地管理大参数探索；它们必须包含从大型模拟中提取数据的强大工具。将在这里开发的矩阵乘积密度算符方法将支持超冷分子物理的创新研究。

Quantum mechanics underlies much of our present technology, including computing. However, many questions about quantum mechanics remain unsolved or open, especially in the areas of dynamics and open systems. Exploring new regimes of quantum mechanics allows us to push towards next generation computing and other future technologies. A key experimental context to gain this insight is ultracold molecules, where we have an extraordinary degree of precise control over many aspects of the quantum problem. In this context, this project supports the development of a large scale open source code to push such experiments forward. The code is run on high performance computers. The training of students in rigorous numerical techniques and high-performance parallel computing is key to success in a number of arenas in society, from the materials genome initiative to the space program. This project will train students in a diverse research environment.As more complex molecules approach quantum degeneracy, the number and complexity of many-body models to describe them will also increase substantially. Additionally, searching for emergent phenomena such as quantum phases and robust dynamical phenomena requires exploration of vast parameter spaces and extrapolation using many different system sizes. In order to meet these challenges, researchers seek new ways to design and dispatch simulations and collect and interpret data. Open source tools which are to have long-term impact must be flexible to adapt to different physical degrees of freedom, different Hamiltonians, and different dynamical processes; they must be efficient to manage large parameter exploration; and they must contain powerful tools for extracting data from large simulations. The matrix product density operator approach to be developed here will support innovative research in ultracold molecular physics.