Pan-American Advanced Studies Institute: Computational Materials Science for Energy Generation and Conversion; Santiago, Chile; January 8-22nd, 2012

1123536斯图尔特这项由美国国家科学基金会和美国能源部联合支持的泛美高级研究所（PASI）奖将于2012年1月在智利圣地亚哥的Pontificia university sidad Católica de Chile举行。该研究所由康奈尔大学的Derek A. Stewart博士和Richard Hennig教授组织，将专注于能源产生和转换的计算材料科学。通过讲座、动手实验和讨论，研讨会将向研究生和博士后介绍强大的计算方法和最先进的模拟代码，这些方法和代码可用于预测材料的宏观性质，如晶体结构、缺陷能、电子能带结构、振动性质、反应途径、电子和热输运以及光子性质。通过整合材料科学、化学和物理等科学学科的理论和计算，这个PASI将提供一个教育经验，为研究生和博士后在计算材料科学领域的职业生涯做好准备。特别的圆桌讨论将突出未来能源研究的关键领域，并为年轻科学家提供实用的职业建议。该PASI的其他目标包括扩大代表性不足的少数民族的参与，并在美洲的年轻科学家之间建立持久的联系。将开发一个网站，提供研讨会演示、教程材料以及可在网上访问的讲座和教程视频。

1123536StewartThis Pan-American Advanced Studies Institutes (PASI) award, jointly supported by the NSF and the Department of Energy (DOE), will take place during January, 2012 at the Pontificia Universidad Católica de Chile, in Santiago, Chile. Organized by Dr. Derek A. Stewart and Prof. Richard Hennig from Cornell University, the institute will focus on computational materials science for energy generation and conversion. Through lectures, hands-on labs, and discussions, the workshop will introduce graduate students and postdocs to powerful computational methods and state-of-the-art simulation codes that can be used to predict macroscopic properties of materials such as crystal structures, defect energies, electronic band structure, vibrational properties, reaction pathways, electronic and thermal transport, and photonic properties.Through the integration of theory and computation across the scientific disciplines of materials science, chemistry and physics, this PASI will provide an educational experience that will prepare graduate students and postdocs for careers in computational materials science. Special roundtable discussions will highlight critical areas for future energy research and provide practical career advice for young scientists. Other goals of this PASI include broadening the participation of underrepresented minorities and building lasting links among young scientists in the Americas. A website will be developed, with access to workshop presentations, tutorial materials, and web-accessible videos of lectures and tutorials.