Research
Biegler Group
Hauan Group
Kitchin Group
Research using the Cluster
Professor Larry Biegler's group is investigating methods for solving large-scale nonlinear optimization problems, optimizing systems of differential algebraic equations, and generating parameter estimation.Professor Steinar Hauan's group is working on methods for chemical process synthesis, design, and optimization. This work has three major areas: the use of agents-based methods for distributed, asynchronous process design, developing generalized methods for identifying attainable regions for reactive separation processes, and the design and optimization of microscale chemical synthesis and sensing.
Professor John Kitchin uses the cluster to model coverage dependent adsorbate interactions with transition metal surfaces and alloy surfaces using density functional theory (DFT). His group is developing high-throughput methods for DFT calculations to enable massive numbers of calculations to be run in a manageable way. These methods are being used to investigate sulfur tolerance in alloy surfaces and reaction mechanisms in energy related fields.
Tue Jan 25 08:27:12 2005