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

9910336这个为期三年的奖项支持美国和西班牙在应用数学方面的合作研究，合作伙伴是加州理工学院的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。他们的研究目标是开发计算和分析技术，以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。西班牙小组在哈密顿系统的数值方法研究方面处于领先地位，美国PI正在理论化学中应用。这种在动力系统和理论化学方面的跨学科研究可以在解释新的实验数据和理论化学领域的进一步发展方面发挥重要作用。

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.