Travel Grant Proposal to establish a US-UK Collaboration on Adaptive Collective Variables

关于建立美英适应性集体变量合作的旅行补助金提案

• 批准号: 1147041
• 负责人: Cecilia Clementi
• 金额: $ 2.44万
• 依托单位: William Marsh Rice University
• 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: 2011-10-01 至 2012-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1147041&HistoricalAwards=false
• 关键词: Travel; Grant; Proposal; establish; US

This award will enable an international collaboration for software development in computational chemistry between researchers in the United States and the United Kingdom. This international collaboration arose from a joint NSF/EPSRC workshop on Software Development for Grand Challenges in the Chemical Sciences held in Oxford, United Kingdom in June 2011. This award will provide travel for project team members to attend plenary and planning meetings, and for exchange visits to catalyze initial subprojects. The project will lead to the develop of new software capabilities for the study of protein systems across multiple resolutions. The collaboration will include the sharing of large datasets and the development of computational infrastructure for controlling simulations. Outcomes of this award will include software for computational chemistry and improved international collaboration in support of sustainable software for science and engineering. Interdisciplinary training of young researchers is an important consideration for this work.

这一奖项将使美国和英国的研究人员在计算化学软件开发方面进行国际合作。这一国际合作源于2011年6月在英国牛津举行的NSF/EPSRC关于应对化学科学重大挑战的软件开发联合研讨会。该奖项将为项目小组成员出席全体会议和规划会议提供旅费，并为促进初始分项目的交流访问提供旅费。该项目将导致开发新的软件能力，用于研究多分辨率的蛋白质系统。合作将包括共享大型数据集和开发用于控制模拟的计算基础设施。该奖项的成果将包括用于计算化学的软件和改进的国际合作，以支持科学和工程的可持续软件。对年轻研究人员的跨学科培训是这项工作的一个重要考虑因素。