Time Evolving Block Decimation: Entangled Quantum Dynamics with Ultracold Molecules

该奖项是根据2009年美国复苏和再投资法案（公法111-5）资助的。 该项目将创建和支持一个用于纠缠量子多体动力学的开源计算机代码，称为时间演化块抽取（TEBD）。 这种开源努力对复杂量子问题的解决产生了巨大的影响;例如，当密度泛函理论（量子力学中一种重要的，现在是标准的数值求解方法，在目标和范围上与TEBD完全不同）成为开源时，它导致了可再生能源和其他关键国家利益部门的先进材料的快速发展。 TEBD使用纠缠作为收敛参数，在解决量子问题（如在降低的维度中设计纳米系统）方面产生巨大的优势。 本研究的一个目标是大规模并行此方法上使用的NSF支持的高性能计算（HPC）集群在科罗拉多矿业学院。 具体应用集中在光学晶格中的超冷异质极性分子和这些系统的模拟，以帮助旨在探索其用于量子计算的实验。几名本科生研究人员将接受HPC和量子多体理论的培训，目标是共同撰写关于超冷分子的出版物。这将通过CSM的高级论文计划，通过夏季雷乌斯，并通过联合5年工程物理BS /数学和计算科学MS计划在CSM完成。 研究生的多样性将通过在非洲和南美洲以及美国的西班牙裔美国人的明确招聘计划来增加。该奖项支持研究生。

This award is funded under the American Recovery and Reinvestment Act of 2009 (Public Law 111-5). This project will create and support an open source computer code for entangled quantum many-body dynamics called Time-Evolving Block Decimation (TEBD). Such open source efforts have had a tremendous impact on the solution of complex quantum problems; for example, when density functional theory (an important, now standard numerical solution method in quantum mechanics, quite different in aim and scope than TEBD), became open source, it led to a rapid development of advanced materials for renewable energy and other sectors of key national interest. TEBD uses entanglement as a convergence parameter to yield a huge advantage in solving quantum problems such as design of nano-systems in reduced dimensions. A goal of this research is to massively parallelize this method for use on the NSF-supported high performance computing (HPC) cluster at the Colorado School of Mines. The specific application focuses on ultracold heteronuclear polar molecules in optical lattices and simulations of these systems to aid experiments designed to explore their use for quantum computing.Several undergraduate researchers will be trained in HPC and quantum many body theory, with the goal of co-authoring publications on ultracold molecules. This will be done through CSM's senior thesis program, through summer REUs, and through the joint 5 year Engineering Physics BS / Mathematical and Computational Sciences MS program at CSM. Graduate student diversity will be increased through explicit recruiting programs in Africa and South America, as well as of Hispanic-Americans in the US. The award supports graduate students.