U.S.-Iceland Workshop: Simulations of Long Time Scale Dynamics: Molecular and Continuum Descriptions; Reykjavik, Iceland, June 26-30, 2000

国际项目部和化学部支持Hannes Jonsson在冰岛雷克雅未克大学举办“长时间尺度动力学模拟：分子和连续体描述”研讨会。研讨会的重点是长时间尺度上原子系统模拟的新发展以及原子模拟与连续体描述的耦合。研讨会将汇集研究人员，他们从不同的角度和不同的工具来解决这个问题，并强调各种方法的优缺点。动态模拟，如在这个研讨会中所涵盖的，已经导致洞察和理解许多不同的领域，如材料设计，药物发现，和蛋白质结构。目前的模拟仅限于极短的时间尺度，大约一纳秒或更短。在化学和材料科学的应用中，寻找在更长的时间尺度上进行分子水平模拟的方法是很重要的。

The Division of International Programs and the Division of Chemistry support Hannes Jonsson for a workshop on "Simulations of Long Time Scale Dynamics: Molecular and Continuum Descriptions" at the University of Reykjavik in Iceland. The focus of the workshop is on new developments in simulations of atomic systems over long time scales and the coupling of atomistic simulations with continuum descriptions. The workshop will bring together researchers who are approaching this problem from different perspectives with different tools and to highlight the strengths and weaknesses of the various approaches.Dynamical simulations such as those covered in this workshop have led to insight and understanding in many diverse areas such as materials design, drug discovery, and protein structure. Current simulations are limited to extremely short time scales, about a nanosecond or less. It is important to find ways to carry out molecular-level simulations on the much longer time scales of interest for applications in chemistry and materials science.