Mathematical Foundations for Uncertainty Quantification in Materials Design. Final Report
Final report DE-SC0010723. Our key accomplishment in the first year of the grant is that we started developing pathwise information theory-based and goal-oriented sensitivity analysis and parameter identification methods for complex high-dimensional dynamics and in particular of nonequilibrium extended systems. The combination of these novel methodologies provide the first methods in the literature which are capable to handle UQ questions for stochastic complex systems with some or all of the following features: (a) multi-scale models with a very large number of parameters, (b) spatially distributed systems such as Kinetic Monte Carlo or Langevin Dynamics, (c) non-equilibrium processes typically associated with coupled physico-chemical mechanisms, driven boundary conditions, etc. The first two such publications sponsored by the grant, have just been published.
- Research Organization:
- Univ. of Massachusetts, Amherst, MA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)
- Contributing Organization:
- Brown University; University of Delaware
- DOE Contract Number:
- SC0010723
- OSTI ID:
- 1483471
- Report Number(s):
- FinalReport
- Country of Publication:
- United States
- Language:
- English
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