PASI: Molecular-Based Multiscale Modeling and Simulation; Montevideo, Uruguay; September 1-14, 2012

PASI：基于分子的多尺度建模和模拟；

• 批准号: 1124480
• 负责人: Jim Pfaendtner
• 金额: $ 10万
• 依托单位: University of Washington
• 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: 2011-12-01 至 2012-11-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1124480&HistoricalAwards=false
• 关键词: PASI; Molecular; Based; Multiscale; Modeling

1124480Pfaendtner This Pan-American Advanced Studies Institutes (PASI) award, jointly supported by the NSF and the Department of Energy (DOE), will take place September 1-14, 2012 at the Institute Pasteur in Montevideo, Uruguay. Organized by Dr. W. James Pfaendtner and Dr. Cameron F. Abrams from the Chemical Engineering Departments at the University of Washington in Seattle, Washington and Drexel University in Philadelphia, Pennsylvania respectively, the institute will address the subjects of molecular-based multi-scale modeling and simulation. More specifically, it will be structured into three broad areas that include enhanced sampling, coarse-grained modeling, and rare-events/rate calculations. Overall, the PASI will give students simultaneous exposure to a) the theoretical underpinnings of new methods, b) the algorithmic details of their implementation, and c) hands-on practice using the above-mentioned methods.Because multi-scale simulations can be used to study many systems at the atomic level, the methods taught in this PASI have applicability to a wide range of scientific and technological fields, including drug design, the biomedical sciences and energy science. Furthermore, the activity will also have a significant impact on the research choices of the 30 student participants by providing them with the guidance to use NSF Teragrid Resources to perform research-grade calculations after the PASI is over.

1124480pfaendtner这项由NSF和能源部（DOE）共同支持的泛美高级研究机构（PASI）奖将于2012年9月1日至14日在乌拉圭蒙特维迪奥的研究所举行。 该研究所由华盛顿大学华盛顿大学化学工程系的Cameron F. Abrams博士和宾夕法尼亚州费城的Drexel University组织，该学院将分别解决分子基于基于多的多尺度模型和模拟的学科。 更具体地说，它将结构为三个广泛的区域，包括增强的采样，粗粒化建模和稀有事件/费率计算。 Overall, the PASI will give students simultaneous exposure to a) the theoretical underpinnings of new methods, b) the algorithmic details of their implementation, and c) hands-on practice using the above-mentioned methods.Because multi-scale simulations can be used to study many systems at the atomic level, the methods taught in this PASI have applicability to a wide range of scientific and technological fields, including drug design, the生物医学科学与能源科学。 此外，这项活动还将通过为他们提供使用NSF TeraGRID资源的指导来对30位学生参与者的研究选择产生重大影响，以在PASI结束后执行研究级计算。