CDI Type I:Collaborative Research: Cyber Enabled Investigation of Quantum Dots, Stacked Quantum Dots, and Quantum Posts

这项研究项目建立了一个多学科的智能合作伙伴关系，目标是设计基于计算的变革性方法，用于模拟分子束外延生长的量子点(QD)。这项研究有助于更好地理解量子点生长过程中的动力学和热力学，从而改善对量子点结构中的位置、生长和尺寸分布的控制。该项目将材料科学的专业知识与最先进的偏微分方程和移动边界问题的算法设计相结合。这项研究影响了将量子点用作单光子发射器或利用载波自旋开发和操作Q比特的科学和工业社区。结果有助于指导实验以及新的光学和电子设备的设计和制造，例如用于医学的量子点光子晶体激光器、非易失性存储、激光手术刀和光学相干断层扫描，以及能源部门基于量子点的产品改进。它对计算科学的影响对于扩散控制的过程、移动边界问题的模拟和设计，以及在模拟宏观行为的同时结合微观速率的多尺度模拟都是重要的。该研究项目包括培训两名学生，其中包括一名具有拉丁裔背景的学生。该研究计划还促进了基于网络的交互式计算实验室的开发，供学生实验计算工具。此外，通过这项研究计划取得的进展通过加州大学圣巴巴拉分校(UCSB)的材料研究实验室、加州大学洛杉矶分校(UCLA)的理论和应用数学研究所以及加州大学洛杉矶分校和UCSB的加州纳米科学研究所传播。该奖项是网络发现和创新计划的一部分，获奖者是加州大学洛杉矶分校的弗雷德里克·吉布和加州大学洛杉矶分校的克里斯蒂安·拉奇。

This research project creates a multidisciplinary intellectual partnership with the goal of designing transformative computation-based methods for the simulation of quantum dots (QDs) growth by molecular beam epitaxy. This research enables a better understanding of the kinetics and thermodynamics during the growth of quantum dots allowing for an improved control of the positioning, growth and size distribution in QD structures. The project combines expertise in materials science with state-of-the-art algorithm design for partial differential equations and moving boundary problems.This research impacts scientific and industrial communities that make use of QDs as single photon emitters or make use of the carrier spins to develop and manipulate q-bits. Outcomes help guide experiments, and the design and manufacture of new optical and electronic devices, such as QDs photonic crystal lasers, nonvolatile storage, laser scalpel and optical coherence tomography for use in medicine, and QD-based product enhancements in the energy sector. The impact on computational science is important for the simulation and design of diffusion dominated processes, moving boundary problems, and multiscale modeling where macroscopic behaviors are simulated while incorporating microscopic rates. The research program involves the training of two students, including one student with Latino background. The research program also fosters the development of an interactive web-based computational lab for students to experiment with computational tools. In addition, advances made through this research program are disseminated through the Materials Research Laboratory at University of California Santa Barbara (UCSB), the Institute for Pure and Applied Mathematics at University of California Los Angeles (UCLA) and the California Nano Science Institute at both UCLA and UCSB. This award is part of the Cyber-Enabled Discovery and Innovation program, and the recipients are Frederic Gibou of UCSB and Christian Ratsch of UCLA.