1st TYC workshop on energy materials.
1st TYC workshop on energy materials.
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第一届 TYC 能源材料研讨会。
DOI：
10.1039/c1cp90044g
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发表时间：
2011
期刊：
影响因子：
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通讯作者：
Blumberger J
中科院分区：
文献类型：
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作者：
Blumberger J
减少对化石燃料的依赖是确保能源安全和防止气候变化的紧迫而重要的一步。这需要设计和开发新材料，用于替代和可持续的能源生产、存储、分配和供应方式。作为具有理论头脑的科学家，我们特别感兴趣的是理论和计算如何为这一雄心勃勃的目标做出贡献。越来越明显的是，建模将在具有所需性能的材料的合理设计中发挥重要作用。然而，在计算研究的许多领域，现有方法的预测能力仍然有限。在这方面，最近能源领域资金的激增为计算科学家提供了一个很好的机会来改进现有方法，并开发全新的方法，这些方法有可能显着缩小实验与数值预测之间的差距。计算能源材料研究是托马斯-杨中心（TYC，http://www.thomasyoungcentre.org/）的基石之一。 TYC 是伦敦范围内的一个由研究小组组成的跨学科社区，致力于通过材料理论和模拟来应对社会和工业的挑战。 TYC 拥有约 80 个参与团体和雄心勃勃的活动计划，是研究生和年轻研究人员的支持社区、访问科学家的新合作来源以及企业和政府的长期合作伙伴。 2010 年 9 月，TYC 组织了首届能源材料研讨会，汇聚了能源材料研究广泛领域的国际领先计算和实验科学家。介绍了绿色经济能源转换材料开发的最新进展，这是伦敦大学学院、伦敦国王学院和伦敦帝国理工学院的科学重点之一。本期特刊是本次研讨会上发表的论文集。它大致可以分为三个领域：光诱导能量转换（Furman等人，Guo等人，Bockmann等人，Nadeem等人），氢与能量存储（Sorby等人，
Reducing our dependency on fossil fuels is an urgent and essential step in ensuring energy security as well as preventing climate change. This requires the design and development of new materials for alternative and sustainable means of energy generation, storage, distribution and supply. As theoretically minded scientists, we are particularly interested in how theory and computation can contribute to this ambitious goal. It becomes increasingly clear that modelling will play an important role in the rational design of materials with desired properties. However, in many areas of computational research, the predictive power of existing methods is still limited. In this respect, the recent surge of funding in the Energy sector provides a great opportunity for computational scientists to improve existing methods, and to develop entirely new approaches that have the potential to significantly reduce the gap between experiments and numerical predictions. Computational energy materials research is one of the cornerstones of the Thomas-Young Centre (TYC, http://www. thomasyoungcentre. org/). The TYC is a London-wide interdisciplinary community of research groups working to address challenges of society and industry through the theory and simulation of materials. With about 80 participating groups, and ambitious programmes of events, the TYC is a supportive community for research students and young researchers, a source of new collaborations for visiting scientists, and a long-term partner for business and government. In September 2010, the TYC organised the first workshop on energy materials that brought together internationally leading computational and experimental scientists, across a broad area of energy materials research. Recent advances in the development of energy converting materials for a green economy—one of the scientific priorities of University College London, King’s College London and Imperial College London—were presented. This special issue is a collection of papers that were presented at this workshop. It can be roughly divided into three areas: photo-induced energy conversion (Furman et al., Guo et al., Bockmann et al., Nadeem et al.), hydrogen & energy storage (Sorby et al.,