2011 Time-Dependent Density Functional Theory GRC

2011年瞬态密度泛函理论GRC

• 批准号: 1112627
• 负责人: Filipp Furche
• 金额: $ 0.7万
• 依托单位: Gordon Research Conferences
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-05-01 至 2012-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1112627&HistoricalAwards=false
• 关键词: 2011; Time; Dependent; Density; Functional

Filipp Furche of the University of California, Irvine, Nancy Gray of the Gordon Research Conferences and Troy Van Voorhis of the Massachusetts Institute of Technology are supported by an award from the Theory, Models and Computational Methods program in the Chemistry Division to help fund the 2011 Time-Dependent Density Functional Theory Gordon Research Conference. The award is also supported by the Condensed Matter and Materials Theory program in the Division of Materials Research. In recent years, time-dependent density-functional theory (TDDFT) has emerged as a low-cost, general purpose approach to time-dependent many-body quantum mechanics. The conference focus is on three questions: (i) What are the major challenges facing the field, (ii) what can TDDFT learn from other methods and vice versa, (iii) how can TDDFT be applied in new areas? Session topics will include fundamentals of TDDFT, electronic excited states (TDDFT and beyond), density matrix functional theory, photochemistry, solar energy conversion, functional development, real-time dynamics, optical properties, and van der Waals interactions.TDDFT has become an essential tool used by researchers in photochemistry, atmospheric chemistry, solar energy conversion, materials science, biophysics, laser physics, physical chemistry and condensed matter physics The 2011 Gordon Research Conference (GRC) on TDDFT will bring together developers and users of TDDFT to share the latest theoretical developments and discuss their application to grand challenge problems in chemistry, physics, and materials science. A major aim of this conference is to facilitate interaction between established world leaders in the field of DFFT and younger scientists. NSF support of this conference is aimed at enabling junior scientists to attend and participate, including assistant professors, postdoctoral research associates and graduate students. The selection of speakers and discussion leaders reflects the organizers' strong commitment to achieve diversity in gender, underrepresented minorities, state of career, and geographical origin.

加州大学欧文分校的Filipp Furche、戈登研究会议的Nancy Gray和麻省理工学院的Troy Van Voorhis获得了化学学部理论、模型和计算方法项目的奖励，以资助2011年时间依赖密度泛函理论戈登研究会议。该奖项还得到了材料研究部凝聚态物质和材料理论项目的支持。近年来，时变密度泛函理论（TDDFT）作为一种低成本、通用的方法出现在时变多体量子力学中。会议的重点是三个问题：(i)该领域面临的主要挑战是什么，（ii） TDDFT可以从其他方法中学到什么，反之亦然，（iii）如何将TDDFT应用于新领域？会议主题将包括TDDFT基础，电子激发态（TDDFT及其他），密度矩阵泛函理论，光化学，太阳能转换，功能开发，实时动力学，光学性质和范德华相互作用。TDDFT已成为光化学、大气化学、太阳能转换、材料科学、生物物理、激光物理、物理化学和凝聚态物理等领域研究人员使用的重要工具。2011年戈登TDDFT研究会议（GRC）将汇集TDDFT的开发人员和用户，分享最新的理论发展，并讨论其在化学、物理和材料科学中的重大挑战问题的应用。这次会议的一个主要目的是促进DFFT领域的世界知名领导人与年轻科学家之间的互动。NSF支持本次会议的目的是使青年科学家能够参加和参与，包括助理教授、博士后研究助理和研究生。演讲者和讨论领袖的选择反映了组织者在性别、未被充分代表的少数民族、职业状况和地理出身方面实现多样性的坚定承诺。