Workshop: Molecular Models for Carbon-Neutral Industrialization : March 25-27, 2010, Palm Springs, CA

研讨会：碳中和工业化的分子模型：2010 年 3 月 25 日至 27 日，加利福尼亚州棕榈泉

• 批准号: 0938198
• 负责人: Jianzhong Wu
• 金额: $ 4.71万
• 依托单位: University of California-Riverside
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-02-01 至 2012-01-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0938198&HistoricalAwards=false
• 关键词: Workshop; Molecular; Models; Carbon; Neutral

0938198WuOverview: Significant advances in basic science and technology are urgently needed to meet the global energy demand in the next few decades without leaving a potentially disastrous carbon footprint behind. As thermodynamics played a central role in fossil-fuel-powered industrial revolution, molecular modeling will be critical to accelerate development of large-scale, cost-effective carbon-neutral technologies to deal with the global energy and environmental challenges. The workshop is designed to offer computational scientists and engineers a realistic look at the opportunities and challenges in application of molecular modeling to addressing global energy and environmental problems.Intellectual Merit: A group of young researchers and internationally distinguished scientists will be invited to discuss and envision the pivotal role that the computational research should play in transforming the fossil-fuel-based modern technologies to those based on sustainable energies and biomass feedstock. The event will be March 25-27 at the Palm Desert campus of the University of California in Riverside (UCR), an appealing and affordable venue for the conference adjacent to Palm Springs, California. The workshop is timed to coincide with the end of 239th ACS National Meeting & Exposition in San Francisco. One week ahead that, the March Meeting of the American Physical Society (APS) will be in Portland, Oregon. These two major international conferences provide an opportunity to invite prominent researchers including those from Europe and Asia to participate in the workshop. The first day of the workshop will be devoted to developments in energy research and computational needs that may help further progress. The second day will feature 10 invited speakers analyzing 10 most challenging problems in application of molecular modeling in the near future. With broad diversity and breadth of backgrounds, the workshop participants and invited speakers will cover different aspects of molecular modeling ranging from first-principle calculations to molecular simulations and phenomenological modeling. Their selection will reflect an emphasis on the near future applications of computational methods to energy and environment problems.Broader Impacts: The workshop has impact in at least three areas. First, it stimulates debate and discussion among engineering scientists in the molecular modeling community on future research directions, and in particular the importance and impact of molecular modeling for experimental design and new industrial applications. Second, it provides valuable inputs into science policy thinking to support computational research to address key technological challenges. And third, it promotes interdisciplinary and international communications and collaborations in integrating different computational methods into a more directed and fruitful way of engineering. The workshop will also help to define new frontiers in molecular modeling research and transform efficient computational methods as a powerful tool for industrial applications

0938198WUOVERVIEW：迫切需要基础科学和技术的重大进展来满足未来几十年的全球能源需求，而不会留下潜在的灾难性的碳足迹。由于热力学在化石驱动的工业革命中发挥了核心作用，因此分子建模对于加速发展大规模，具有成本效益的碳中性技术以应对全球能源和环境挑战至关重要。该研讨会旨在为计算科学家和工程师提供现实的研究，以实现分子建模在解决全球能源和环境问题方面的应用机遇和挑战。Intlectalual功绩：一群年轻的研究人员和国际杰出的科学家将邀请讨论和设想这些计算研究在基于基于Fossiles的现代技术方面的关键作用，以使这些关键研究在基于型现代技术方面发挥作用。该活动将于3月25日至27日在加利福尼亚大学河滨分校（UCR）的棕榈沙漠校园举行，这是一个吸引人且负担得起的场地，可在加利福尼亚州棕榈泉附近的会议上进行。该研讨会与在旧金山举行的第239届ACS全国会议和博览会结束时保持了时间。提前一个星期，美国物理学会（APS）的三月会议将在俄勒冈州的波特兰举行。这两个主要的国际会议提供了一个机会，邀请包括欧洲和亚洲的著名研究人员参加研讨会。研讨会的第一天将致力于能源研究和计算需求的发展，这可能有助于进一步发展。第二天将以10名受邀演讲者为特色，分析在不久的将来应用分子建模时最具挑战性的问题。凭借广泛的多样性和背景广度，研讨会的参与者和受邀演讲者将涵盖从第一原则计算到分子模拟和现象学建模的分子建模的不同方面。他们的选择将反映出计算方法在能源和环境问题上的不久应用的重点。BRODER的影响：研讨会在至少三个领域的影响。首先，它刺激了分子建模社区中未来研究方向的工程科学家之间的辩论和讨论，尤其是分子建模对实验设计和新工业应用的重要性和影响。其次，它为科学政策思维提供了宝贵的意见，以支持计算研究以应对关键技术挑战。第三，它促进了跨学科和国际沟通以及将不同的计算方法整合到更有指导和富有成果的工程方式中的合作。该研讨会还将有助于定义分子建模研究中的新边界，并将有效的计算方法转变为工业应用的强大工具