Dynamics and Transport in Strongly Interacting Condensed Phase Systems

强相互作用凝聚相系统中的动力学和传输

• 批准号: 1464802
• 负责人: David Reichman
• 金额: $ 43.5万
• 依托单位: Columbia University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2015
• 资助国家: 美国
• 起止时间: 2015-05-01 至 2020-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1464802&HistoricalAwards=false
• 关键词: Dynamics; Transport; Strongly; Interacting; Condensed

David Reichman is supported by an award from the Chemical Theory, Models and Computational Methods program in the Chemistry division to develop new theoretical tools for the study of structure and dynamics in complex systems that are expected to exhibit novel and useful properties. The rational design of new materials with novel functionality is the ultimate goal of theoretical and computational chemistry. Two such examples are the development of a new framework to understand the relaxation of electrons and holes in organic semiconductors that will lead to improved light-emitting and photovoltaic devices and a new theory for understanding ultra-stable glasses that have demonstrated promise for drug delivery and the development of materials with tunable mechanical properties.This research focuses on two main projects. The first focuses on a computational means of treating quantum charge and energy transfer and non-equilibrium quantum transport in strongly interacting condense phase systems. The second focuses on the dynamics and the structure-dynamics relationship of glass-forming liquids. All phases of the proposal make use of approaches recently developed in the Reichman group, including the recent development of the real-time stochastic bold expansion for the calculation of out-of-equilibrium transport properties in correlated condensed phase systems, as well as a novel microscopic approach for the description of dynamical correlation functions in supercooled liquids and glasses.

David Reichman得到了化学部化学理论、模型和计算方法计划的奖励，以开发新的理论工具来研究复杂系统中的结构和动力学，预计将显示出新颖和有用的性质。合理设计具有新颖功能的新材料是理论化学和计算化学的终极目标。其中两个例子是发展一个新的框架来理解有机半导体中电子和空穴的弛豫，这将导致发光和光伏器件的改进，以及一个新的理论来理解超稳玻璃，这些玻璃已经展示了药物输送的前景，以及具有可调机械性能的材料的开发。这项研究主要集中在两个项目上。第一部分介绍了一种处理强相互作用凝聚相系统中量子电荷和能量转移以及非平衡量子输运的计算方法。第二部分重点研究了玻璃形成液的动力学和结构-动力学关系。该提议的所有阶段都利用了Reichman小组最近开发的方法，包括用于计算关联凝聚相系统中非平衡输运性质的实时随机BOLD展开的最新发展，以及用于描述过冷液体和玻璃中的动力学关联函数的一种新的微观方法。

项目成果

What Remains Unexplained about the Properties of Halide Perovskites?

• DOI: 10.1002/adma.201800691
• 发表时间: 2018-05-17
• 期刊: ADVANCED MATERIALS
• 影响因子: 29.4
• 作者: Egger, David A.;Bera, Achintya;Yaffe, Omer
• 通讯作者: Yaffe, Omer

Many-body theory of optical absorption in doped two-dimensional semiconductors

• DOI: 10.1103/physrevb.99.125421
• 发表时间: 2019-03-14
• 期刊: PHYSICAL REVIEW B
• 影响因子: 3.7
• 作者: Chang, Yao-Wen;Reichman, David R.
• 通讯作者: Reichman, David R.

Stark shift of excitons and trions in two-dimensional materials

• DOI: 10.1103/physrevb.98.245309
• 发表时间: 2018-12-20
• 期刊: PHYSICAL REVIEW B
• 影响因子: 3.7
• 作者: Cavalcante, L. S. R.;da Costa, D. R.;Chaves, A.
• 通讯作者: Chaves, A.

Momentum-space indirect interlayer excitons in transition-metal dichalcogenide van der Waals heterostructures

• DOI: 10.1038/s41567-018-0123-y
• 发表时间: 2018-08-01
• 期刊: NATURE PHYSICS
• 影响因子: 19.6
• 作者: Kunstmann, Jens;Mooshammer, Fabian;Korn, Tobias
• 通讯作者: Korn, Tobias

Electrostatics of electron-hole interactions in van der Waals heterostructures

• DOI: 10.1103/physrevb.97.125427
• 发表时间: 2018-03-21
• 期刊: PHYSICAL REVIEW B
• 影响因子: 3.7
• 作者: Cavalcante, L. S. R.;Chaves, A.;Reichman, D. R.
• 通讯作者: Reichman, D. R.