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

国际方案司和化学司支持Hannes Jonsson在冰岛雷克雅未克大学举办“长时间尺度动力学模拟：分子和连续统描述”研讨会。 研讨会的重点是在长时间尺度上的原子系统的模拟和原子模拟与连续描述的耦合的新发展。 本次研讨会将汇集从不同角度使用不同工具解决这一问题的研究人员，并强调各种方法的优点和缺点。动态模拟，如本次研讨会所涵盖的那些，导致了许多不同领域的洞察力和理解，如材料设计，药物发现和蛋白质结构。 目前的模拟仅限于纳秒或更短的时间尺度，因此，重要的是要找到在更长的时间尺度上进行分子水平模拟的方法，这对化学和材料科学的应用很有意义。

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.