Participant Support for Foundations of Molecular Modeling and Simulation: Molecular Modeling and the Materials Genome (FOMMS 2015); Welches, Oregon, on July 12-15, 2015

非技术性总结该奖项为2015年7月12日至16日在俄勒冈州靠近胡德山的韦尔奇举行的第六届三年一度的分子建模和模拟基础会议提供部分支持。该会议汇集了来自学术界，政府和工业界以及海外的社区专家，以促进计算和基于数据的方法在化学和材料科学问题中的应用，从能源和环境应用的新材料的设计到了解药物分子如何与身体相互作用。计算建模和基于数据的方法具有推动创新、降低成本和加快产品开发的潜力。2015年会议的主题是“分子建模和材料基因组”。“材料基因组计划是白宫的一项计划，其目标是以目前可能的两倍速度发现、设计、制造和部署先进材料，而成本只是目前的一小部分。预计计算和数据将在实现这一目标方面发挥关键作用。NSF的支持使15名研究生和5名博士后能够参加会议。该会议为研究生和博士后提供了计算和基于数据的方法及其在发现，设计和产品开发中的应用的实践教育经验。该奖项为第六届三年一度的分子建模和模拟基础会议提供部分支持，该会议于2015年7月12日至16日在俄勒冈州的韦尔奇举行，靠近胡德山。该会议汇集了来自学术界，政府和工业界以及海外的各种社区专家，以促进计算和基于数据的方法在化学和材料科学中的应用，以解决科学和工程中的一系列问题。本次会议的主题是“分子建模与材料基因组”。“材料基因组计划是白宫的一项计划，其目标是以目前可能的两倍速度发现、设计、制造和部署先进材料，而成本只是目前的一小部分。预计计算和数据将在实现这一目标方面发挥关键作用。该奖项使15名研究生和5名博士后能够参加会议，否则他们可能无法参加。 分子建模和模拟系列的基础是在2000年发起的，以促进基于分子的计算方法的应用和发展。它有一个不同的参与者和主题的横截面，结合一个相对较小的会议的亲密和可访问性。2015年会议没有平行会议，包括18位全体发言人，三个以教育为重点的研讨会和两个海报会议。受邀演讲者来自大学和工业界，包括国际专家。会议促进了高级和初级研究人员之间有意义的互动，这种互动在大型会议上往往难以协调。 此外，还举办了三个实践研讨会，分别涉及：1）材料信息学; 2）软件开发实践; 3）图形处理单元和高级计算架构的计算。 研讨会为研究生和博士后提供了计算和基于数据的方法及其在发现，设计和产品开发中的应用的实践教育经验。

NONTECHNICAL SUMMARYThis award provides partial support for the 6th triennial conference on Foundations of Molecular Modeling and Simulation held in Welches, Oregon, near Mount Hood, on July 12 - 16, 2015. The conference brings together a diverse group of community experts from academia, government, and industry, and from overseas to promote the application of computational and data-based methods to chemical and materials sciences problems ranging from the design of new materials for energy and environmental applications to understanding how drug molecules interact with the body. Computational modeling and data-based approaches have the potential to drive innovation, reduce costs, and speed product development. The theme of the 2015 conference is "Molecular Modeling and the Materials Genome." The Materials Genome Initiative is a White House initiative with a goal to discover, design, manufacture, and deploy advanced materials twice as fast as currently possible, at a fraction of the cost. Computation and data are envisioned to play a key role in achieving this objective. NSF support enables the participation of 15 graduate students and 5 post-docs who might not otherwise be able to attend the conference. The conference provides a hands-on educational experience for graduate students and postdocs in computational and data-based methods, and their application to discovery, design, and product development. TECHNICAL SUMMARYThis award provides partial support for the 6th triennial conference on Foundations of Molecular Modeling and Simulation held in Welches, Oregon, near Mount Hood, on July 12 - 16, 2015. The conference brings together a diverse group of community experts from academia, government, and industry, and from overseas to promote the application of computational and data-based methods to chemical and materials sciences to a range of problems in science and engineering. The theme of this conference is "Molecular Modeling and the Materials Genome." The Materials Genome Initiative is a White House initiative with a goal to discover, design, manufacture, and deploy advanced materials twice as fast as currently possible, at a fraction of the cost. Computation and data are envisioned to play a key role in achieving this objective. This award enables 15 graduate students and 5 post-docs to participate in the conference, who might not otherwise be able to attend. The Foundations of Molecular Modeling and Simulation series was initiated in 2000 to foster the application and development of molecular-based computational methods. It has a diverse cross section of participants and topics, combined with the intimacy and accessibility of a relatively small conference. The 2015 conference has no parallel sessions and consists of 18 plenary speakers, three workshops with an educational focus, and two poster sessions. The invited speakers span university and industry and include international experts. The conference facilitates meaningful interactions between senior and junior researchers, interactions that are often difficult to coordinate at larger meetings. Additionally, three hands-on workshops are held on 1) materials informatics 2) software development practices, and 3) computing on graphics processing units and advanced computing architectures. The workshops provide a hands-on educational experience for graduate students and postdocs in computational and data-based methods, and their application to discovery, design, and product development.