Innovations through Computational Sciences

密西西比州立大学(MSU)提交的这项提案旨在通过建立密西西比州立大学在高性能计算方面的现有优势，在计算科学研究方面确立全国领先地位。它的具体目标是：(1)通过以下方式提高国家的研究能力：(A)通过具有竞争力的启动方案(约10万美元/年)招聘~12名优秀教师，(B)支持和指导跨学科计算科学研究方面的新教师和现有教师，以及(C)用新设备和支持人员加强计算科学基础设施；(2)扩大MRC机构和外部实验室之间的合作；(3)在选定的研究领域增加妇女和代表性不足群体的机会；(4)增加参与研究生的人数及其与K-12学生和教师的联系；(5)通过新的知识产权及其商业化促进国家经济发展。计算科学的三个相互关联的领域将是该项目的重点：(1)计算生物学，(2)计算化学，(3)生物系统模拟。计算生物学研究将集中于开发新的算法来存储、检索和分析数据。计算化学研究旨在提高对小分子及其与大分子生物靶标相互作用的理解。生物系统模拟的研究有望有助于全面了解难以测量的复杂生理过程，并将其融入一体化的全身模型中。这个项目的主题是计算科学，建立在以前的研究投资、三个研究领域之间的联系以及商业化潜力的基础上。因此，拟议的工作范围将使州政府能够推进研究，并加强其最大的研究型大学之间的合作，这些大学包括(1)杰克逊州立大学(JSU)通过其陆军高性能计算研究中心，(2)密西西比州立大学(MSU)与高性能计算实验室，(3)密西西比大学(UM)通过超级计算研究中心，(4)南密西西比大学(USM)与其国防部高性能计算专业共享资源中心在斯坦尼斯空间中心，及其高性能可视化实验室。一项教育和推广计划将侧重于招收和留住计算机专业的有前途的学生。方法是扩大现有的项目并开发新的组成部分，其中包括高等教育机构之间的合作，并为计算科学专业的学生提供安全的途径，从高中到研究生院的不同级别的干预。

The proposal submitted by Mississippi State University (MSU) aims at establishing national prominence in computational sciences research by building on the State's existing strengths in high performance computing. Its specific goals are: (1) increase the State's research capacity by (a) recruit ~12 outstanding faculty with competitive start-up packages (~$100K/year), (b) support and mentor new and existing faculty in interdisciplinary computational sciences research, and (c) enhance the computational sciences infrastructure with new equipment and support staff; (2) expand the collaboration among MRC institutions and outside laboratories; (3) increase opportunities for women and underrepresented groups in the selected research areas; (4) increase the number of participating graduate students and their interface with K-12 students and teachers; and (5) foster state economic development through new intellectual property and its commercialization.Three interrelated areas of computational sciences will be the focus of the project: (1) computational biology, (2) computational chemistry, and (3) biosystem simulation. Computational biology research will focus on the development of novel algorithms to store, retrieve, and analyze data. Computational chemistry research aims at improving the understanding of small molecules and their interactions with large molecule biological targets. Research on biosystem simulation is expected to contribute to a comprehensive understanding of complex physiological processes that cannot be easily measured, and to their incorporation into integrative, whole-body models. The theme for this project, computational sciences, builds on previous research investments, the links among the three research areas, and the potential for commercialization. Therefore, the proposed scope of work will allow the State to advance research and strengthen collaboration among its largest research universities, including (1) Jackson State University (JSU) through its Army High Performance Computing Research Center, (2) Mississippi State University (MSU) with the High Performance Computing Laboratory, (3) University of Mississippi (UM) via the Center for Supercomputing Research, and (4) University of Southern Mississippi (USM) with its DoD HPC Major Shared Resource Center at Stennis Space Center, and its High Performance Visualization Lab. An education and outreach initiative will focus on recruiting and retaining promising students in computational majors. The approach is to expand existing programs and to develop new components, which include partnerships between institutions of higher learning, and to provide secure pathways for students in computational science majors with intervention at various levels from high school to graduate school.