Scientific Collaboratories: Remote Research and Education Via the Internet

1. Scientific Collaboratories: Remote Research and Education Via the Internet James D. Myers EMSL Collaboratory Project Pacific Northwest National Laboratory

2. 100-D & 100 H State DR Areas Area TO Othello Wildlife White Bluffs State Highway 24 Fisheries & Department of Sport White Bluffs Townsite 100 N U.S. Bureau To Vantage & Seattle Areas Vernita State Highway 243 of Bridge 100-KW 100 F & KE Rt. 1 Area Areas Game 100-B & C Vernita Rt. 2 North Areas Hanford Townsite Yakima Barricade Rt. 11 A State Highway 24 Meteorology To Yakima 200 W 200 E Rt. 3 Area Area Rt. 2 South US Ecology Rt. 4 South Army Road Loop Ringold Rattlesnake Springs Wye State Highway 240 Arid Barricade WNP 2 WNP 4 WNP 1 Lands Ecology Rt. 4 South FFTF Columbia River Battelle Observatory Project Ale Hdqtrs. Horn Rapids Dam Rattlesnake Mtn. El. 3581 300 Area Battelle's Richland Research Complex Yakima River West Richland Richland 224 Benton Federal City Highway Building State To Pasco Interstate 182 To Yakima To Kennewick DOE Restoration Challenges at Hanford • Cost: • $40 B (FY1989) • $80 B (FY1992) • Time • 30+ years • Complex Problem • 1500+ Sites • 1.4 billion cubic meters of contaminated soils • 900,000 cubic meters of radioactive waste • 70+ megacuries of radioactive waste • 150 square miles of contaminated aquifer • Compliance Requirements • EPA • State

3. Environmental Molecular Sciences LaboratoryPacific Northwest National Laboratory Mission ... to advance molecular science and support the long-term environmental missions of the U.S. Department of Energy. Collaborative Research Facility ... to make unique research resources available to DOE scientists and researchers from academia and industry. ... to provide the opportunities needed to educate and recruit young scientists to meet the demanding challenges of the future.

4. Scientific Issues: Contaminated Soils and Groundwater

5. The Collaboratory Concept A Collaboratory is a “... ‘center without walls,’ in which the nation’s researchers can perform their research without regard to geographical location • interacting with colleagues, • accessing instrumentation, • sharing data and computational resources, [and] • accessing information in digital libraries.” Bill Wulf (1989) ... going beyond text exchange and conference/presentation metaphors; bringing scientific resources into an environment to allow in-depth, collaborative work.

6. Supporting Scientific Collaboration • Discovery • Contact / Setup • Training • Remote Experiment Monitoring • Remote Analysis • Remote Consultation • Joint Authoring of Papers

7. Scientific Collaboration: • Intermittent • Involves complex, multidimensional data • No routine data handling • Discovery/learning • Archetypes: • Peer-to-Peer • Mentor-Student • Inter-disciplinary • Producer - Consumer

8. The Collaborative Research Environment (CORE) Design Goals • Simple - easy to learn, no IP/port numbers • Ubiquitous - cross-platform • Integrated - single logon • Extensible - easily add needed scientific resources • Flexible - supporting different work processes • Secure - for safety, intellectual property • Reliable - guaranteed quality of service • Transparent - allows natural social interaction

9. What the User Sees Lab Notebook Session Manager Scientific Instruments Colleagues Shared Computer Display Analysis Tools Whiteboard Information Browsing

10. Start a Session Join a Session Collaboratory Access via the WWW • WebTour • File Transfer • Chat Box • Televiewer • Audio/Video • Whiteboard • Data Notebook • On-line Instruments with one click...

11. WebTour Mentoring Facility Linking WWW Browsers for: • Discussions • Lectures • Slideshows

12. Cross-Platform Desktop Videoconferencing(audio, video, whiteboard) • Multicast Backbone (MBONE) Tools for Unix (Xerox PARC, LBL, NASA) • Audio - vat • Video - nv, vic • Whiteboard - wb • CU-SeeMe Video for Mac, PC (Cornell) • Desktop Video • Connection to the MBONE • PNL Reflector Bridge • External Cu-SeeMe Connections

13. 300ps 300ps 300ps 300ps Windows TeleViewer Collaboration MacOS • Dynamic Cross Platform Application Viewer • Monitor Experiments or Analysis Aplications • Future: • Differencing of Frames • Annotation • Record & Playback SGI/IRIX Solaris

14. EMSL On-Line RF Ion Trap Mass Spectrometer

15. EMSL Electronic Notebook • WWW based access to EMSL data and meta-data • Automation of data/metadata input from instruments and calculations • Querying/ Searching • Simple, secure access to full datasets • Interactive input of results into notebook from the WWW • Rich media types (text, images, files, 3D structures, voice, animations, video, ...)

16. The Current Notebook • Data Access: • Metadata • Live Graphs • File Access • Table of Contents: • Notebooks • Folders • Pages • Add a new page Threaded Annotations: text, local files, images, screen capture, audio, ... Data and annotation types can easily be added

17. EMSL Archive EMSLElectronic Notebook Secure WWW Access

18. DOE 2000 FY’97 • R&D • Shared VR • Inter-operability Framework* • Collaboration Management* • Security Architecture • Floor Management • Quality of Service • Electronic Notebooks* • Pilots • Diesel Collaboratory • Materials Micro-Characterization (M2C)

19. Collaboratory Technology is on the way Is that it? Some new Technology Toys? We’re all a few % more effective?

20. Lack of non-verbal cues Lack of presence Delays, network outages Parallel development: infrastructure applications environments Remote Access Scaling Desktop access to people, information and scientific resources Automation of recording and routing Translation/different views of data Media integration Anonymity / Equality Electronic Collaboration:Worse, Better, or Different?

21. Removing Distance (and Time) from the Equation If travel were free: Live where you want Buy clothes in New York Pick up wine an cheese in Paris Dine on a beach in Tahiti

22. Separated by Distance & Time: Resource Discovery Learning/Training Problem Solving Remote Experiment Monitoring & Analysis Remote Consultation. (Set-up) • Symbolic Z-matrix: • Charge = 1 Multiplicity = 1 • Li • - 1 1. • O 1 LiO 2 90. • O 1 LiO 2 90. 3 180. 0 • C 3 CO 1 LiOC 2 0. 0 • C 3 CO 1 LiOC 2 180. 0 • C 4 CO 1 LiOC 2 90. 0 • C 4 CO 1 LiOC 2 270. 0 • H 5 CHa 3 OCHa 1 0. 0 • H 5 CHb 3 OCHb 1 alfa 0 • H 5 CHb 3 OCHb 1 -alfa 0 • H 6 CHa 3 OCHa 1 0. 0 • H 6 CHb 3 OCHb 1 alfa 0 • H 6 CHb 3 OCHb 1 -alfa 0 • H 7 CHa 4 OCHa 1 0. 0 • H 7 CHb 4 OCHb 1 alfa 0 • H 7 CHb 4 OCHb 1 -alfa 0 • H 8 CHa 4 OCHa 1 0. 0 • H 8 CHb 4 OCHb 1 alfa 0 • H 8 CHb 4 OCHb 1 -alfa 0 Joint Authoring of Papers

23. New opportunities: • Exposing students to ‘real world’ science and the latest scientific techniques • Connecting researchers at smaller institutions to their colleagues and expensive instrumentation • Allowing increased specialization (instrument developer, data • analyst, experiment designer) • Allowing cross-disciplinary projects

24. John Price U.W. Chem 155 - Live from the EMSL WWW/ Excel Spreadsheet A/V, WebTour Lecture Remote Data Acquisition EMSL WWW Data Notebook

25. Organzational Options: • Buying 1/4 of an NMR spectrometer • Assembling a “Scientific SWAT Team” to address a new problem • Virtual Institutes - one stop shopping for related techniques

26. PNNL-LBNL Virtual Research FacilityJames D. Myers, John M. Price, Paul D. Ellis - PNNLStu Loken, Bill Johnston, Deb Agarwal - LBNL A pilot project enabling and supporting productive collaborative chemistry research between PNNL and LBNL: Molecular Characterization by NMR and Crystallography

27. Collaboratory for Undergraduate Research and Education (CURE)Joint DOE / NSF project • Student classroom experience enhancement • Faculty skills enhancement • Student research enhancement ... learning in the context of real-world problemsand interdisciplinary science ... training researchers who become inspired by DOE missions … understanding how to make collaborative interactions scale CURE Workshop - PNNL, Oct. 16-19, 1996

29. And New Questions: • What’s a paper? How do we evaluate work across institutional boundaries? • When is research work and when is it education? • What’s more important - home or virtual istitute affiliation? Who are your peers? • What good is second best? (What’s software and what’s plumbing?) What is the best division of work (what scales) ?

30. Collaboratories • more than new technology • a new paradigm for scientific Research and Education Borromean Rings - the synergy of collaboration

31. Acknowledgments • Thom Dunning, Ray Bair, Eric Leber, Norm Chonacky • Debbie Payne, Ken Yates, and many others ... (CORE, TeleViewer) • John Price (EMSL On-Line) • Students (Electronic Notebook) • U.S. Department of Energy • Mathematical, Information and Computational Sciences Division of the Office of Energy Research • Distributed Collaboratory Experiment Environments (DCEE) • Pacific Northwest National Laboratory (PNNL) • Laboratory Directed Research and Development (LDRD) Pacific Northwest National Laboratory is a multiprogram national laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract DE-AC06-76RLO 1830.

32. EMSL Collaboratory Related Research: Collaboratory Group http://www.emsl.pnl.gov:2080/docs/collab/CollabHome.html Jim Myers (Collab Tech Brief) EMSL On-line Instrument Project http://130.20.186.137:2080/index.htm John M. Price et. al. Rattlesnake Mountain Observatory Alliance for the Advancement of Science Through Astronomy (AASTA) http://www.emsl.pnl.gov:2080/docs/RMO/ Eric Leber, Ken Swanson (flyers, Alan Hale talk)