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

该研究项目创建了一个多学科的智力合作伙伴关系，目标是设计基于分子束外延模拟量子点（QDs）生长的变革性计算方法。本研究能够更好地理解量子点生长过程中的动力学和热力学，从而改进对量子点结构中定位、生长和尺寸分布的控制。该项目将材料科学专业知识与最先进的偏微分方程和移动边界问题算法设计相结合。这项研究影响了利用量子点作为单光子发射器或利用载流子自旋来开发和操纵q位的科学界和工业界。结果有助于指导实验，以及设计和制造新的光学和电子设备，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增强。对计算科学的影响对于扩散主导过程的模拟和设计，移动边界问题以及多尺度建模（在结合微观速率的同时模拟宏观行为）非常重要。该研究项目包括培训两名学生，其中一名学生具有拉丁裔背景。该研究计划还促进了一个基于网络的交互式计算实验室的发展，供学生使用计算工具进行实验。此外，通过该研究项目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）的纯数学和应用数学研究所以及加州大学洛杉矶分校和加州大学洛杉矶分校的加州纳米科学研究所进行传播。该奖项是网络发现与创新项目的一部分，获奖者是UCSB的Frederic Gibou和UCLA的Christian Ratsch。

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.