Collaboratory for Multi-scale Chemical Science - EMSL - Pacific ：协作多尺度化学科学系EMSL太平洋.pptVIP

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2018-04-13 发布于江西
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Collaboratory for Multi-scale Chemical Science - EMSL - Pacific ：协作多尺度化学科学系EMSL太平洋.ppt

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Collaboratory for Multi-scale Chemical Science - EMSL - Pacific ：协作多尺度化学科学系EMSL太平洋.ppt

Adaptive Informatics Infrastructure for Multi-scale Chemical Science CMCS.ORG James D. Myers: Pacific Northwest National Laboratory Larry Rahn, David Leahy, Carmen Pancerella: Sandia National Laboratory Gregor von Laszewski, Branko Ruscic: Argonne National Laboratory William H. Green, Jr.: Massachusetts Institute of Technology Division of Chemical Information, ACS National Meeting Anaheim, CA March 29, 2004 Outline Multiscale Science Challenges What is an ‘adaptive informatics infrastructure’? Architecture and major components Combustion Science Applications Status and Future Directions Adaptive Informatics Infrastructure Infrastructure – a well designed, scalable, reusable, flexible set of tools, middleware, and services Informatics – the emerging use of semi-automated means to derive new knowledge from the analysis of (large amounts of) heterogeneous data, annotating existing data with its newly discovered meaning Adaptive – able to dynamically change to incorporate new knowledge and support new activities Low Barriers Many access points Storage of data in original formats with dynamic metadata extraction and translation Powerful Arbitrary formats (binary, ASCII, XML) Integrated data, metadata, pedigree across internal and external tools Evolvable Schema can be changed/extended as needed Metadata, translations, viewers, portal, etc. can be dynamically configured Knowledge/Semantic Grid A set of scalable tools, middleware, and services For the creation, analysis, dissemination, evaluation, and use Of data, information, and knowledge By individuals, groups, and communities …A digital place for performing ‘all’ aspects of science CMCS Integrates Other Major Open Source Software Capabilities CMCS Portal Interface SAM Powers CMCS Knowledge Management CMCS Metadata Elements Using Dublin Core for some basic pedigree properties: title, creator, dates, publisher, is-referenced-by, references, replaces, is-replaced-by, has-version, etc. Dublin Core Element Set