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Session Notes

CBET Discussion - part 2

Session 4 Questions

If there is a CBET community, what do you consider to be the leveraged industry problems? (E.g. US supply chains fuels and chemicals, prediction/analysis of toxic drug effects, analysis of commodity processes, zero incident management, etc.)

  • Smart plants (chemical/petroleum)/Zero-incident management (including homeland security issues): integrating sensor networks, communication networks, and control systems.
  • Integration of  scheduling and planning with control systems
  • Multiscale (microscopic/macroscopic) systems engineering (simulation algorithms, optimization, control)
  • Design of drug delivery systems, design and operation of semiconductor manufacturing processes for next generation computing systems, task-oriented polymer formulations, energy and environment.   

If there is a CBET community, what are the most promising enabling (CI) areas to tackle? (E.g., data interoperability, security, smart plants, sensor networks, multi-scale modeling/simulation, security, large scale optimization, etc.)

  • Scalable, requirements-driven security (minimize overhead for different needs)
  • Educating industry (and academia!) about the potential and capabilities of CI
  • Making CI easier to use as well as more powerful
  • Collaborative capabilities, e.g. data analysis, hypothesis generation, etc
  • Example: drug delivery vehicle design
    • Multi-scale modeling & simulation
    • Data interoperability (and platform interoperability) and metadata definitions
    • Large-scale optimization (of models and between models)

Should there be a CBET community aimed at CI? If so, how should it be formed and organized to be a player in major CI initiatives, i.e. TeraGrid?

  • Big orgs (AIChE, SBE, ACS, AACC, etc.) have their own relevant sub groups that should focus on CI
  • Overarching orgs (CACHE, Council for Chemical Research, etc.)
  • Perhaps CACHE should take on role of collecting CI requirements (from other orgs), articulating needs, etc. and communicate with both subgroups and with major CI initiatives (so acts as liaison)

What actions or changes are needed to proceed? What investments are needed? (E.g. community software engineering, data standards, databases)

  • Solicitations to address the above CI needs/opps
  • Develop/define (and start?) CBET ‘full’ problems and the CI enabling technologies needed, then show needs and overlap in needs (within CBET, and across disciplines) to prove the needs.

What are the key CBET CI specifications?

  • Some specs exist, but there are missing data specs, incomplete specs, etc.

What are the key takeaways from this workshop?

  • Remember that CI is about more than computing: data archival, curation, collaboration, etc.
  • Think big: about what you can do for ‘whole problems’ in collaboration with a broader set of people and CI tools.
  • Chemical engineering, computing, and systems research are seriously underfunded. CI funding provides a way to address the grand challenges in CBET community
  • TeraGrid and other major CI projects need to do more outreach to this community; this community needs to be more aggressive about learning about existing CI projects
    • TG present info on domain usage, success, etc.
    • TG hosts forum for users to interact (by domain, technology, etc.)
    • TG appoint a liaison for each FOS?
    • TG post a NEW USER doc/list