Call for White Papers on Scientific Computing
EMSL's Molecular Science Computing Capability (MSC) is soliciting white papers that will guide MSC as it determines the technical requirements for EMSL’s next generation of high-performance computing resources.
Purpose of the White Papers
The information contained in the white papers will facilitate development of documentation (the 2010 Greenbook) that will be used to justify to the Department of Energy's (DOE’s) Office of Biological and Environmental Research the need for enhanced high-performance computing resources at EMSL. The white papers will form the basis for an MSC Science Panel, to convene in the November timeframe, that will define the 2010 Greenbook.
The intent of the MSC Science Panel is to demonstrate the role that next-generation MSC high-performance computing resources will play within the next three to four years across the scientific community, keeping within the scope of the EMSL Science Themes and considering the integration of theory and experiment. More information about the MSC Science Panel will be posted as it becomes available.
Scope of White Papers
In the white paper, authors are encouraged to not only extrapolate their science towards the future, but also to envision new scientific possibilities that have not taken full advantage of high-performance computing, require different computing paradigms, or can benefit from new types of architectures. This forward thinking will help prevent future scientific discoveries from being hampered by inadequate high-performance computing resources, and it will advance the integration of high-performance computing with experimental observations.
Who Should Submit a White Paper?
Any researchers in environmental molecular science with emerging scientific applications who can benefit from high-performance computing should submit a white paper. If you are using workstations or small computer clusters to do research, chances are you can obtain more scientific data, results with higher accuracy, or new scientific insights with high-performance computing. If you are already exploiting high-end computing, next-generation supercomputers will improve your research abilities, allow you to develop new areas of research, or provide a gateway to new scientific discoveries.
White Paper Format Requirements
White paper authors are asked to address the following four topics. We request that the organization of white papers follow the order in which the topics are presented and that each topic is clearly identified. Please stay within the word count allotted for each topic.
NOTE: Please make sure the science discussed in the white papers fits within EMSL’s thrust areas defined by the EMSL Science Themes.
- Contact information. Please include the name, position, affiliation, postal address, e-mail address, and phone number of each author.
- Current state of the scientific field. [250 words maximum]
- What benefit does computational science provide in your field?
- What computational limitations prevent your scientific field from going forward?
- Future state of the scientific field. [1000 words maximum]
- What scientific advances could you envision being made by 2012, given sufficient high-performance computing resources?
- What impact will the scientific advances have on the DOE mission?
- What role can EMSL's high-performance computing resources play in scientific discovery?
- What role can high-performance computing have on scientific discovery through integration of theory and experiment?
- Future high-performance computing resource needs. [500 words maximum]
- Based on the scientific advances to be made, what are the modeling approaches that should and/or could be used?
- Does the field need a shift in the modeling paradigm currently used?
- What hardware features will the modeling approach rely on (e.g., processors, memory model and requirements, interconnect, storage, etc.)?
Submittal Information
All white papers should be submitted via e-mail to greenbook@emsl.pnl.gov. All white papers must be received by Friday, November 13, 2009. Preferred format is Word; however, PDF and plain text (ASCII) format will be accepted. Images may be submitted as embedded objects within the paper. If we want to include your image in our final document to DOE, we will make individual requests for high-resolution images.
