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William Van Etten, PhD   http://bioteam.net   1
“Computar? ... Hello Computar!”




William Van Etten, PhD   http://bioteam.net   1
“Computar? ... Hello Computar!”
Accessibility and Ease of Use for Computer Aided Science




 William Van Etten, PhD               http://bioteam.net   1
“Computar? ... Hello Computar!”
Accessibility and Ease of Use for Computer Aided Science



                  http://slideshare.net


 William Van Etten, PhD               http://bioteam.net   1
2
Collaborative Mission
BT, Accelrys, BioTeam   1




                            2
Collaborative Mission
BT, Accelrys, BioTeam        1
Demonstration
Efforts toward the mission   2



                                 2
Collaborative Mission
BT, Accelrys, BioTeam                  1
Demonstration
Efforts toward the mission             2
How it works
Technical highlights behind the demo   3

                                           2
BioTeam
Brief Shameless Plug                   0
Collaborative Mission
BT, Accelrys, BioTeam                  1
Demonstration
Efforts toward the mission             2
How it works
Technical highlights behind the demo   3

                                           2
BioTeam
Brief Shameless Plug                   0
Collaborative Mission
BT, Accelrys, BioTeam                  1
Demonstration
Efforts toward the mission             2
How it works
Technical highlights behind the demo   3

                                           2
What do we do?
Enable Computer Aided Science




                                3
What do we do?
Enable Computer Aided Science


 ‣ Research, Assess Scientific Problems




                                         3
What do we do?
Enable Computer Aided Science


 ‣ Research, Assess Scientific Problems
 ‣ Design, Build, Develop, Train Solutions




                                             3
What do we do?
Enable Computer Aided Science


 ‣ Research, Assess Scientific Problems
 ‣ Design, Build, Develop, Train Solutions
   •   HPC Solutions (private and cloud)




                                             3
What do we do?
Enable Computer Aided Science


 ‣ Research, Assess Scientific Problems
 ‣ Design, Build, Develop, Train Solutions
   •   HPC Solutions (private and cloud)
   •   Write Software (custom and commercial)




                                                3
What do we do?
Enable Computer Aided Science


 ‣ Research, Assess Scientific Problems
 ‣ Design, Build, Develop, Train Solutions
   •   HPC Solutions (private and cloud)
   •   Write Software (custom and commercial)
   •   Provide Outsourced Informatics




                                                3
What do we do?
Enable Computer Aided Science


 ‣ Research, Assess Scientific Problems
 ‣ Design, Build, Develop, Train Solutions
   •   HPC Solutions (private and cloud)
   •   Write Software (custom and commercial)
   •   Provide Outsourced Informatics
 ‣ Vendor and Technology Agnostic


                                                3
What do we do?
Enable Computer Aided Science


 ‣ Research, Assess Scientific Problems
 ‣ Design, Build, Develop, Train Solutions
   •   HPC Solutions (private and cloud)
   •   Write Software (custom and commercial)
   •   Provide Outsourced Informatics
 ‣ Vendor and Technology Agnostic
 ‣ We Know Science, Code, “and” IT
                                                3
Collaborative Mission
BT, Accelrys, BioTeam                  1
Demonstration
Efforts toward the mission             2
How it works
Technical highlights behind the demo   3

                                           4
Collaboration
Three great tastes that taste great together!




                                                5
Collaboration
Three great tastes that taste great together!




‣ Communication

‣ Security

‣ Federation

‣ Network

‣ Compute

‣ Storage




                                                6
Collaboration
Three great tastes that taste great together!




‣ Communication                            ‣ Pipeline Pilot

‣ Security                                 ‣ Discovery Studio

‣ Federation                               ‣ Scientific Applications

‣ Network                                  ‣ Workflow

‣ Compute                                  ‣ SOAP API

‣ Storage




                                                                      6
Collaboration
Three great tastes that taste great together!




‣ Communication       ‣ Clustering on the Cloud   ‣ Pipeline Pilot

‣ Security            ‣ Chef Orchestration        ‣ Discovery Studio

‣ Federation          ‣ HPC Tuning                ‣ Scientific Applications

‣ Network             ‣ Application Integration   ‣ Workflow

‣ Compute             ‣ Scientific Expertise       ‣ SOAP API

‣ Storage




                                                                             6
Collaboration
BT, BioTeam, Accelrys




   Factor 1              Factor 2


              Overlap




              Factor 3
                                    7
Collaboration
BT, BioTeam, Accelrys


                                    Mission
   Factor 1              Factor 2


              Overlap




              Factor 3
                                              7
Collaboration
BT, BioTeam, Accelrys


                                          Mission
   Factor 1              Factor 2   ‣ Lower the barrier of entry
                                      into Scalable, High
                                      Performance Computer
                                      Aided Science
              Overlap




              Factor 3
                                                                   7
Collaboration
BT, BioTeam, Accelrys


                                          Mission
   Factor 1              Factor 2   ‣ Lower the barrier of entry
                                      into Scalable, High
                                      Performance Computer
                                      Aided Science
              Overlap               ‣ Increase Ease of Use for
                                      the Scientist




              Factor 3
                                                                   7
Collaboration
BT, BioTeam, Accelrys


                                           Mission
   Factor 1              Factor 2    ‣ Lower the barrier of entry
                                       into Scalable, High
“Can we provide a natural language     Performance Computer
                                       Aided Science
              Overlap
interface to Computer Aided          ‣ Increase Ease of Use for
                                       the Scientist
Science?”




              Factor 3
                                                                    7
Collaboration
BT, BioTeam, Accelrys


                                          Mission
   Factor 1              Factor 2   ‣ Lower the barrier of entry
                                      into Scalable, High
                                      Performance Computer
                                      Aided Science
              Overlap               ‣ Increase Ease of Use for
                                      the Scientist



                                    ‣ An example of what we
                                      were thinking


              Factor 3
                                                                   8
Collaboration
BT, BioTeam, Accelrys


                                          Mission
   Factor 1              Factor 2   ‣ Lower the barrier of entry
                                      into Scalable, High
                                      Performance Computer
                                      Aided Science
              Overlap               ‣ Increase Ease of Use for
                                      the Scientist



                                    ‣ An example of what we
                                      were thinking


              Factor 3
                                                                   9
Collaboration
BT, BioTeam, Accelrys


                                          Mission
   Factor 1              Factor 2   ‣ Lower the barrier of entry
                                      into Scalable, High
                                      Performance Computer
                                      Aided Science
              Overlap               ‣ Increase Ease of Use for
                                      the Scientist



                                    ‣ An example of what we
                                      were thinking


              Factor 3
                                                                   9
Collaborative Mission
BT, Accelrys, BioTeam                  1
Demonstration
Efforts toward the mission             2
How it works
Technical highlights behind the demo   3

                                           10
11
11
Collaborative Mission
BT, Accelrys, BioTeam                  1
Demonstration
Efforts behind the mission             2
How it works
Technical highlights behind the demo   3

                                           12
Siri
What you see in the commercials




  ‣ Texts
  ‣ Emails
  ‣ Reminders
  ‣ Appointments
  ‣ Questions


                                  13
More Than That
Natural Progression of the UI




                                14
Siri
How it works




               15
Siri
How it works




               Who are you?



                              15
Siri
How it works




               Who are you?



                              15
Siri
How it works             guzzoni.apple.com




               Who are you?



                                             15
Siri UI to PP on BT
How it works




                      16
Siri UI to PP on BT
How it works




               Please run the experiment..



                                             16
Siri UI to PP on BT
How it works




               Please run the experiment..



                                             16
Siri UI to PP on BT
How it works                      guzzoni.apple.com




               Please run the experiment..



                                                      16
Siri UI to PP on BT
How it works                      guzzoni.apple.com




               Please run the experiment..



                                                      16
Siri UI to PP on BT
How it works                      guzzoni.apple.com




               Please run the experiment..



                                                      16
17
17
Siri UI to PP on BT
SiriProxy plugin catches phrase, gets NAMD WSDL from PP



                      secret




                      secret



                                                          18
Siri UI to PP on BT
Chef/Knife orchestrates initialization of BT cloud resources




                                   secret




                                                               19
Siri UI to PP on BT
Results retrieved from PP through savon SOAP request




                                                       20
Siri UI to PP on BT
SiriProxy plugin returns results to the phone


                      secret




                                                21
Collaborative Mission
BT, Accelrys, BioTeam                  1
Demonstration
Efforts behind the mission             2
How it works
Technical highlights behind the demo   3

                                           22
“Computar? ... Hello Computar!”
Accessibility and Ease of Use for Computer Aided Science



                  http://slideshare.net


 William Van Etten, PhD               http://bioteam.net   23

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"Computar? ... Hello Computar!"

  • 1. 1
  • 2. William Van Etten, PhD http://bioteam.net 1
  • 3. “Computar? ... Hello Computar!” William Van Etten, PhD http://bioteam.net 1
  • 4. “Computar? ... Hello Computar!” Accessibility and Ease of Use for Computer Aided Science William Van Etten, PhD http://bioteam.net 1
  • 5. “Computar? ... Hello Computar!” Accessibility and Ease of Use for Computer Aided Science http://slideshare.net William Van Etten, PhD http://bioteam.net 1
  • 6. 2
  • 8. Collaborative Mission BT, Accelrys, BioTeam 1 Demonstration Efforts toward the mission 2 2
  • 9. Collaborative Mission BT, Accelrys, BioTeam 1 Demonstration Efforts toward the mission 2 How it works Technical highlights behind the demo 3 2
  • 10. BioTeam Brief Shameless Plug 0 Collaborative Mission BT, Accelrys, BioTeam 1 Demonstration Efforts toward the mission 2 How it works Technical highlights behind the demo 3 2
  • 11. BioTeam Brief Shameless Plug 0 Collaborative Mission BT, Accelrys, BioTeam 1 Demonstration Efforts toward the mission 2 How it works Technical highlights behind the demo 3 2
  • 12. What do we do? Enable Computer Aided Science 3
  • 13. What do we do? Enable Computer Aided Science ‣ Research, Assess Scientific Problems 3
  • 14. What do we do? Enable Computer Aided Science ‣ Research, Assess Scientific Problems ‣ Design, Build, Develop, Train Solutions 3
  • 15. What do we do? Enable Computer Aided Science ‣ Research, Assess Scientific Problems ‣ Design, Build, Develop, Train Solutions • HPC Solutions (private and cloud) 3
  • 16. What do we do? Enable Computer Aided Science ‣ Research, Assess Scientific Problems ‣ Design, Build, Develop, Train Solutions • HPC Solutions (private and cloud) • Write Software (custom and commercial) 3
  • 17. What do we do? Enable Computer Aided Science ‣ Research, Assess Scientific Problems ‣ Design, Build, Develop, Train Solutions • HPC Solutions (private and cloud) • Write Software (custom and commercial) • Provide Outsourced Informatics 3
  • 18. What do we do? Enable Computer Aided Science ‣ Research, Assess Scientific Problems ‣ Design, Build, Develop, Train Solutions • HPC Solutions (private and cloud) • Write Software (custom and commercial) • Provide Outsourced Informatics ‣ Vendor and Technology Agnostic 3
  • 19. What do we do? Enable Computer Aided Science ‣ Research, Assess Scientific Problems ‣ Design, Build, Develop, Train Solutions • HPC Solutions (private and cloud) • Write Software (custom and commercial) • Provide Outsourced Informatics ‣ Vendor and Technology Agnostic ‣ We Know Science, Code, “and” IT 3
  • 20. Collaborative Mission BT, Accelrys, BioTeam 1 Demonstration Efforts toward the mission 2 How it works Technical highlights behind the demo 3 4
  • 21. Collaboration Three great tastes that taste great together! 5
  • 22. Collaboration Three great tastes that taste great together! ‣ Communication ‣ Security ‣ Federation ‣ Network ‣ Compute ‣ Storage 6
  • 23. Collaboration Three great tastes that taste great together! ‣ Communication ‣ Pipeline Pilot ‣ Security ‣ Discovery Studio ‣ Federation ‣ Scientific Applications ‣ Network ‣ Workflow ‣ Compute ‣ SOAP API ‣ Storage 6
  • 24. Collaboration Three great tastes that taste great together! ‣ Communication ‣ Clustering on the Cloud ‣ Pipeline Pilot ‣ Security ‣ Chef Orchestration ‣ Discovery Studio ‣ Federation ‣ HPC Tuning ‣ Scientific Applications ‣ Network ‣ Application Integration ‣ Workflow ‣ Compute ‣ Scientific Expertise ‣ SOAP API ‣ Storage 6
  • 25. Collaboration BT, BioTeam, Accelrys Factor 1 Factor 2 Overlap Factor 3 7
  • 26. Collaboration BT, BioTeam, Accelrys Mission Factor 1 Factor 2 Overlap Factor 3 7
  • 27. Collaboration BT, BioTeam, Accelrys Mission Factor 1 Factor 2 ‣ Lower the barrier of entry into Scalable, High Performance Computer Aided Science Overlap Factor 3 7
  • 28. Collaboration BT, BioTeam, Accelrys Mission Factor 1 Factor 2 ‣ Lower the barrier of entry into Scalable, High Performance Computer Aided Science Overlap ‣ Increase Ease of Use for the Scientist Factor 3 7
  • 29. Collaboration BT, BioTeam, Accelrys Mission Factor 1 Factor 2 ‣ Lower the barrier of entry into Scalable, High “Can we provide a natural language Performance Computer Aided Science Overlap interface to Computer Aided ‣ Increase Ease of Use for the Scientist Science?” Factor 3 7
  • 30. Collaboration BT, BioTeam, Accelrys Mission Factor 1 Factor 2 ‣ Lower the barrier of entry into Scalable, High Performance Computer Aided Science Overlap ‣ Increase Ease of Use for the Scientist ‣ An example of what we were thinking Factor 3 8
  • 31. Collaboration BT, BioTeam, Accelrys Mission Factor 1 Factor 2 ‣ Lower the barrier of entry into Scalable, High Performance Computer Aided Science Overlap ‣ Increase Ease of Use for the Scientist ‣ An example of what we were thinking Factor 3 9
  • 32. Collaboration BT, BioTeam, Accelrys Mission Factor 1 Factor 2 ‣ Lower the barrier of entry into Scalable, High Performance Computer Aided Science Overlap ‣ Increase Ease of Use for the Scientist ‣ An example of what we were thinking Factor 3 9
  • 33. Collaborative Mission BT, Accelrys, BioTeam 1 Demonstration Efforts toward the mission 2 How it works Technical highlights behind the demo 3 10
  • 34. 11
  • 35. 11
  • 36. Collaborative Mission BT, Accelrys, BioTeam 1 Demonstration Efforts behind the mission 2 How it works Technical highlights behind the demo 3 12
  • 37. Siri What you see in the commercials ‣ Texts ‣ Emails ‣ Reminders ‣ Appointments ‣ Questions 13
  • 38. More Than That Natural Progression of the UI 14
  • 40. Siri How it works Who are you? 15
  • 41. Siri How it works Who are you? 15
  • 42. Siri How it works guzzoni.apple.com Who are you? 15
  • 43. Siri UI to PP on BT How it works 16
  • 44. Siri UI to PP on BT How it works Please run the experiment.. 16
  • 45. Siri UI to PP on BT How it works Please run the experiment.. 16
  • 46. Siri UI to PP on BT How it works guzzoni.apple.com Please run the experiment.. 16
  • 47. Siri UI to PP on BT How it works guzzoni.apple.com Please run the experiment.. 16
  • 48. Siri UI to PP on BT How it works guzzoni.apple.com Please run the experiment.. 16
  • 49. 17
  • 50. 17
  • 51. Siri UI to PP on BT SiriProxy plugin catches phrase, gets NAMD WSDL from PP secret secret 18
  • 52. Siri UI to PP on BT Chef/Knife orchestrates initialization of BT cloud resources secret 19
  • 53. Siri UI to PP on BT Results retrieved from PP through savon SOAP request 20
  • 54. Siri UI to PP on BT SiriProxy plugin returns results to the phone secret 21
  • 55. Collaborative Mission BT, Accelrys, BioTeam 1 Demonstration Efforts behind the mission 2 How it works Technical highlights behind the demo 3 22
  • 56. “Computar? ... Hello Computar!” Accessibility and Ease of Use for Computer Aided Science http://slideshare.net William Van Etten, PhD http://bioteam.net 23

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