Algorithims, Methods & Tools

The aim of this area is to develop state-of-the art mathematical techniques in order to facilitate decision making in the main application areas of the institute. In most cases the decision making problem is posed as an optimization problem. Therefore, novel algorithms are developed for linear, nonlinear, mixed integer problems in the face of multiple objectives. Major efforts are devoted to uncertainty characterization, quantification, and propagation, necessitating efficient algorithms for sampling, optimization under uncertainty, and stochastic optimal control. These algorithms are applicable for steady state, dynamic, and stochastic systems. Based on these algorithms, methods and tools are designed to handle real world problems in design, control, management, and planning.


Researchers

Projects

                    Materials & Molecular Modeling

The search for new molecules possessing desired physical, chemical, biological and health properties is an important and ongoing process in various industries. Such a search encompasses problems of designing polymers, refrigerants, solvents, composites and blends, drugs, agricultural chemicals, fuels, paints, varnishes and perfumes among others. It has a major role to play in the overall economics of these industries. The aim of this area is to design and develop computer aided methods for material selection and molecular modeling. The predictive models in this area range from empirical group contribution methods to computationally intensive models based on molecular simulations and molecular dynamics. The main focus of this area is to improve the accuracy and efficiency of the predictive models as well as the selection methods.

Researchers

Projects

MORE>>
http://www.epa.gov http://www.anl.gov http://www.nsf.gov http://www.epri.com http://www.netl.doe.gov