SI2-SSE: Cloud-Computing-Clusters for Scientific Research

该奖项是根据对持续创新软件基础设施的建议而颁发的。网络基础设施办公室和材料研究部为该奖项提供资金。该奖项支持开发基于互联网的科学计算环境，特别是计算材料研究。PI将推进计算材料研究，这是一项被称为云计算的最新创新。根据需要利用通过因特网连接的计算机资源进行计算的能力，因特网在地理上可能相隔很远。PI将开发一个计算环境，该环境将是强大的，灵活的，并且相对容易为材料研究社区使用。PI将专注于从材料中原子的身份及其位置开始计算材料中电子状态的特定代码。原子间的力可以从电子态计算出来。这些代码将在短期内用于计算原子和分子的复杂运动，理解涉及材料散射光的实验数据，研究特定材料如何吸收光并与光相互作用以推进太阳能电池技术。该奖项还支持教育和推广活动，使研究界能够有效地使用根据该奖项开发的新计算工具，让高中生接触到最先进的计算技术。

This award is made on a proposal to the Software Infrastructure for Sustained Innovation. The Office of Cyberinfrastructure and the Division of Materials Research contribute funds to this award. This award supports developing an internet-based scientific computing environment, particularly for computational materials research. The PI will advance into computational materials research a recent innovation known as cloud computing ? the ability to utilize computer resources connected via the internet, which may be geographically separated by vast distances, on demand to do computing. The PI will develop a computing environment that will be robust, flexible, and relatively easy for the materials research community to use. The PI will focus on specific codes that calculate the states of electrons in materials starting from the identities of the atoms in the material and their positions. Forces between atoms may be calculated from the electronic states. These codes will be used in the short term to calculate complicated motions of atoms and molecules, to understand data from experiments that involve scattering light from materials, to study how specific materials absorb and interact with light to advance solar cell technology.This award also supports education and outreach activities to enable the research community to effectively use the new computational tools developed under this award, and expose high school students to cutting edge advances in computation.