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Where
is Education -
part 2
What technologies and their integration are needed, where is the expertise,
and what is the state of technical capability?
Technology |
Where is expertise |
State |
ERP (Enterprise Resource Planning):
Business modeling, accounts, HR, etc. |
Vendors (SAP, Oracle, PeopleSoft, etc.) |
Mature; pervasive in industry |
Computational chemistry: molecular
formation energy, charge distribution, etc. |
Vendors (Gaussian, NWChem, etc.) and
research groups |
Advanced; strong presence in industry |
Molecular modeling: Monte Carlo, molecular
dynamics, etc. |
Research groups |
Developing |
Computational Fluid Dynamics |
Vendors (Fluent, etc.) and research
groups |
Advanced; strong presence in industry |
Thermodynamic modeling (QSAR, COSMO,
etc) |
Vendors (Aspen, COSMO) |
Mature; pervasive in industry |
Control systems |
Vendors |
Mature; pervasive in industry |
Process modeling |
Vendors (Aspen) |
Mature; pervasive in industry |
Sensors |
Vendors and research groups |
Mature, and yet not |
Communication networks |
Vendors and research groups |
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What are common problems, common areas of need, complementary areas
to be interfaced, and opportunities for cross-disciplinary fertilization
facilitated by CI?
Emerging technologies and integrative approaches
- Smart plant technologies
- Integration of ERP and control systems
- Respond not only to changes in physical situation, but also to commercial/business
fluctuations
- Currently this is done “manually”
- Multiscale-multiphysics
- Integration of quantum/molecular/continuum
- Automated selection of appropriate level of modeling
- Adaptive/error
- Cobble vs. integrate
- Loose vs. pervasive interfacing
- Loose integration exists today, and is largely straightforward
- Pervasive integration is much more difficult
- Thin-film growth (gas – PDE; film – atoms)
- QM/MM modeling (reactions in soln)
- Crack propagation
- Solid-phase diffusion (electromigration)
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