U.S.-Spain Cooperative Research: Computational and Analytical Dynamical Systems Techniques for the Study of Global Dynamics in Theoretical Chemistry

美国-西班牙合作研究：理论化学中全球动力学研究的计算和​​分析动力系统技术

• 批准号: 9910336
• 负责人: Stephen Wiggins
• 金额: $ 1.8万
• 依托单位: California Institute of Technology
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1999
• 资助国家: 美国
• 起止时间: 1999-09-01 至 2002-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9910336&HistoricalAwards=false
• 关键词: U.S.; Spain; Cooperative; Research; Computational

9910336This three-year award supports US-Spain cooperative research in applied mathematics between Stephen Wiggins of the California Institute of Technology and Amadeu Delshams at the Polytechnic University of Catalunya and Angel Jorba at the University of Barcelona. The objective of their research is to develop computational and analytical techniques to study classical and semi-classical dynamics of molecules with three or more degrees of freedom.The Spanish group has lead in the development of numerical methods for the study of Hamiltonian systems, and the US PI is working with applications in theoretical chemistry. This interdisciplinary research effort in dynamical systems and theoretical chemistry could play an important role in the interpretation of new experimental data and further development in the field of theoretical chemistry.

9910336这三年奖支持加利福尼亚理工学院的Stephen Wiggins与巴塞伦大学理工大学的Amadeu Delshams之间的应用数学合作研究。 他们的研究的目的是开发计算和分析技术，以研究三个或以上的自由度的分子的经典和半古典动力学。西班牙群体领导着开发汉密尔顿系统和研究的数值方法，以及US PI正在与理论化学中的应用合作。 这项在动态系统和理论化学方面的跨学科研究工作可能在解释新的实验数据和理论化学领域的进一步发展中起重要作用。