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 这个为期三年的奖项支持加州理工学院的 Stephen Wiggins 和加泰罗尼亚理工大学的 Amadeu Delshams 以及巴塞罗那大学的 Angel Jorba 之间的美国-西班牙应用数学合作研究。 他们研究的目标是开发计算和分析技术来研究具有三个或更多自由度的分子的经典和半经典动力学。西班牙小组在开发用于研究哈密顿系统的数值方法方面处于领先地位，并且美国 PI 正在研究理论化学的应用。 这种动力系统和理论化学的跨学科研究工作可以在解释新实验数据和理论化学领域的进一步发展中发挥重要作用。