Planning Meeting for Workshop on Future Directions in Molecular Simulation and Computational Chemistry: Fundamentals and Applications

摘要CTS-9725591 Peter Cummings 本项目支持“分子模拟和计算化学未来方向研讨会：基础和应用”的规划会议，研讨会指导委员会将在会上制定详细计划（包括受邀者名单、地点和研讨会时间表）。 此外，作为其审议的一部分，指导委员会将产生一个简短的，2-4页的文件，概述了分子模拟和计算化学的可识别的趋势，这两年日益增长的重要性的措施，两个领域之间的协同作用，以及潜在的资金方向。 这份文件将作为整个研讨会的更详细报告的非常初步的版本，并为研讨会上的发言和讨论提供一个焦点。 分子模拟和计算化学未来方向研讨会的指导委员会可能由Peter T。Cummings（田纳西大学和橡树岭国家实验室主席）、基思E. Gubbins或Athanassios Z. Panagiotopoulos（康奈尔大学）、菲利普R Westmoreland（马萨诸塞大学）和Matthew Neurock（弗吉尼亚大学）。 该奖项提供的资金将允许这五个人在弗吉尼亚州阿灵顿的NSF举行为期1.5天的规划会议。 会议期间将以草案形式编写报告，并由主要研究者向NSF的Wellek博士传达费用。 ***

ABSTRACT CTS-9725591 Peter Cummings This project supports a planning meeting for the "Workshop on Future Directions in Molecular Simulations and Computational Chemistry: Fundamentals and Applications", at which the Steering Committee for the workshop will develop detailed plans (including the invitee list, location and schedule of the workshop). Additionally, as part of its deliberations the Steering Committee will produce a short, 2-4 page document outlining identifiable trends in molecular simulation and computational chemistry, measures of the growing importance of the two years, synergism between the two areas, and potential funding directions. This document will serve as a very preliminary version of the more detailed report, which will emerge, from the full workshop, as well as providing a focal point for the presentations and discussions in the workshop. The Steering Committee for the Workshop on Future Directions in Molecular Simulation and Computational Chemistry may consist of Peter T. Cummings (Chair, University of Tennessee and Oak Ridge National Laboratory), Keith E. Gubbins or Athanassios Z. Panagiotopoulos (Cornell University), Phillip R Westmoreland (University of Massachussetts) and Matthew Neurock (University of Virginia). The funds provided in this award would permit these five individuals to meet for a 1.5-day planning meeting at NSF in Arlington, VA. A report will be developed in draft form over the course of the meeting and communicated by the principal investigator to Dr. Wellek at NSF for expenses. ***