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Data-intensive profile for the VAMDC


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Talk given by Claudio Mendoza at 3d CDAMOP, 14-16 December 2011, Delhi University, Delhi, India.

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Data-intensive profile for the VAMDC

  1. 1. Data-intensiveprofile for VAMDCC. Mendoza (IVIC, CeCalCULA) &VAMDC Collaboration3d CDAMOPUniversity of Delhi15 December 2011
  2. 2. Since early 80s, I have contributed to international consortia for the production of massive atomic data sets for astrophysical applications 1982-1997: Opacity Project (Opacity Project Team 1995)  Radiative atomic data (LS coupling) and opacities for cosmic abundant elements  Led by Mike Seaton and Dimitri Mihalas  Contributors from France, Germany, UK, USA, Venezuela 1992-present: IRON Project (Hummer et al 1993)  Radiative and collisional data (intermediate coupling) for Fe-group ions  Coordinated by David Hummer  Contributors from Canada, France, Germany, UK, USA
  3. 3. TOPbase was one of the firstonline atomic databases Source: Cunto & Mendoza (1992)
  4. 4. In 1995 TIPTOPbase was upgradedwith web technology
  5. 5. The OPserver is a good example ofdatabase-centric computingOPserver at OSC Source: Mendoza et al. (2007)
  6. 6. Source: John R. Johnson, “HPC for data intensive science”,Pacific Northwest National Laboratory
  7. 7. A new scientific culture:e-Science (John Taylor 1999)  Digital science  Multidisciplinary and collaborative (social networks)  Virtualized on a 2nd generation Internet (advanced networks)  Data intensive, open access (database centric)  HPC in distributed environments (grids, clouds) and managed through services  New communication and publication pathways: knowledge preservation & dissemination (metadata)
  8. 8. Virtual Learning Environment Undergraduate Digital Students Library Graduate E-Scientists Students Reprints E-Scientists Peer- Reviewed Technical Reports Grid Journal & Conference Preprints & Papers Metadata Entire e-Science E-Experimentation Cycle Local Encompassing Publisher Institutional Web Holdings Archive Certified Experimental Data, experimentation, Metadata & Results & Analyses Ontologies analysis, publication, research, learningSource: David De Roure (Univ. Southampton, UK)
  9. 9. Data curation is rapidly becoming a crucialstep in the research cycle Original image from Lord et al (2004)
  10. 10. • The Virtual Atomic and Molecular Data Center (VAMDC)aims at building an interoperable e-infrastructure for theexchange of A&M data. VAMDC involves 15 administrativepartners representing 24 teams from 6 European Unionmember states, Serbia, the Russian Federation andVenezuela.• VAMDC is supported by EU in the framework of the FP7"Research Infrastructures - INFRA-2008-1.2.2 - ScientificData Infrastructures" initiative. It started on the 1st of July2009 for a duration of 42 months.
  11. 11. VAMDC integrates several research groupsmainly from the European Research Area UCL U Uppsala U Cambridge Open U RAS U Cologne RFNC NIST Queen’s U CNRS U Vienna IVIC CeCalCULA AO Belgrade INA Italia
  12. 12. Outstanding problems in existing A&M databasesare interoperability and data interfaces
  13. 13. VAMDC intends to deploy an interoperable e-environment for distributed A&M databases database2 database1 database3 database4
  14. 14. Users will be able to navigate seamlesslyand retrieve data from 21 A&M databases VALD NIST CHIANTI HITRAN CDMS OPserver BASECOL XSTAR STSPTIPbase UMIST VAMDCTOPbase KIDA W@DIS PAH SPECTRA LASP OZONE BELDATA CDSD SpecW3
  15. 15. A&M data are used in a wide variety ofresearch and industrial fields Astrophysics Fusion plasmas Lighting
  16. 16. VAMDC is conceived as a virtual warehouseof A&M distributed data services
  17. 17. The first database integrations were carriedout by the IAEA by means of web portals
  18. 18. Database integration and data exchangemanagement are now performed with XML Source: Freire & Benedict, 2004, Comp. Sc. Eng., 6, 12
  19. 19. Storage of XML in a database Source: Freire & Benedict, 2004, Comp. Sc. Eng., 6, 12
  20. 20. XSAMS is an XML schema forA&M data exchange
  21. 21. XSAMS tree Solids Particles CollisionsFunctions Atoms Molecules Radiative Nonrad.Methods Data Objects Processessources XSAMS VO-PDC Forum, Paris, November 2011
  22. 22. <ChemicalElement><NuclearCharge> 1</NuclearCharge><ElementSymbol>H </ElementSymbol></ChemicalElement><Isotope><IonState><IonCharge> 0</IonCharge><IsoelectronicSequence> H </IsoelectronicSequence>
  23. 23. <AtomicState stateID="S.0101.001"><AtomicNumericalData><StateEnergy><Value units="1/cm"> 0.0000000E+00</Value></StateEnergy></AtomicNumericalData><AtomicQuantumNumbers><Parity>even</Parity><TotalAngularMomentum> 0.5</TotalAngularMomentum></AtomicQuantumNumbers><AtomicComposition><Component><Configuration><Shells><Shell><PrincipalQuantumNumber> 1</PrincipalQuantumNumber><OrbitalAngularMomentum><Value> 0</Value></OrbitalAngularMomentum><NumberOfElectrons>1</NumberOfElectrons></Shell></Shells><ConfigurationLabel>1s_1/2 </ConfigurationLabel></Configuration><Term><LS><L><Value> 0</Value></L><S>0.5</S><Multiplicity>2</Multiplicity></LS></Term></Component></AtomicComposition></AtomicState>
  24. 24. <RadiativeTransition><EnergyWavelength><Wavelength><Theoretical><Value units="nm"> 1.215674E+03</Value></Theoretical></Wavelength></EnergyWavelength><InitialStateRef>S.0101.002</InitialStateRef><FinalStateRef>S.0101.001</FinalStateRef><Probability><TransitionProbabilityA><Value units="1/s"> 6.2684E+08</Value></TransitionProbabilityA></Probability></RadiativeTransition>
  25. 25. Deployment Strategy• All data on the WWW• Databases stay at their producers’ sites• All data searchable VO-PDC Forum, Paris, November 2011
  26. 26. VAMDC registry based on IVOAregistry standards VO-PDC Forum, Paris, November 2011
  27. 27. Data Access: TAP-XSAMSBased on TAP standard VO-PDC Forum, Paris, November 2011
  28. 28. Ingredients & structure of aVAMDC node
  29. 29. VAMDC will provide a registry of A&Mweb services
  30. 30. The XSTAR spectral modeling code is beingoffered as a SOAP web service Command-based app XSTAR uaDB
  31. 31. Once XSTAR is available as a web service,it can be integrated in a web page
  32. 32. Workflows maybe published inscientific social network systems
  33. 33. A&M data producer-user communities arebeing consolidated with Web 2.0 tools
  34. 34. ConclusionsScientific research is becoming increasingly collaborativeand data-intensive (e-science)Atomic data production must be scaled up to the extremerequirements of diverse virtual organizationsData repositories must be kept fit and integrated forcontemporary purposes, discovery and reuse (data curation)Data provenance and preservation are of vital importanceRegarding A&M data, VAMDC is addressing most of theseissuesAn A&M XML schema (XSAMS) has been released and isbeing extended and maintainedIf you have A&M databases, you are welcome to set up aVAMDC node for publication