Advanced Computations

General Information about the Research

Advanced-computations research in chemical engineering involves the use of high-performance computing to address problems important to our discipline. The applications are widely varying, but all require advanced computing techniques because of challenges such as solving millions of simulations equations, performing rapid 3D visualization using hundreds of gigabytes of data, or performing rigorous multiscale modeling. The research is cross disciplinary because of the need to bring together experts in computational modeling, numerical methods, and fundamental science.

At LSU, professors and students involved in computational research benefit from outstanding resources – both facilities and personnel. LSU is home to two supercomputers (Super Mike, which is a 512-node, dual-processor, linux system, and Super Helix, which is a similar 128-node system devoted to research in the bio sciences), Pelican, which a 14-node IBM Power5 network, and numerous smaller clusters (see LSU High Performance Computing for details). On the personnel side, LSU’s Center for Computation and Technology employs a large and diverse staff that ranges from world-class researchers to graphics specialists to hardware technicians. CCT is leading efforts in grid computing, optical networking, algorithm development, and more.

In our Department, advanced computing is being used for computational fluid dynamics, materials characterization, computational biology, chemical reactor design, process design and optimization. Graduate students are involved with multidisciplinary research through formal programs such as the NSF IGERT on computational fluid dynamics, industrial partnerships such as the PoreSim Consortium, and collaborations that involve research partners around the nation and the world.

Professors Involved

Prof. Karsten E. Thompson

Professor Thompson’s research group focuses on computational modeling of flow and structure in porous materials. Applications include oil & gas production, membrane separations, advanced materials (solid foams and composite fibrous materials), and marine and environmental applications. A partial list of current projects is listed below. See www.poresim.org for more information:

• Multi-scale modeling techniques: sub-pore scale to Darcy scale flows
  
  
• Automatic meshing techniques from 3D computed tomography images
  
  
• Modeling interfacial behavior in porous materials
  
  
• Inertial flows in porous materials
  
  
• The motion and trapping of non-spherical particles in constricted channels

Prof. Martin A. Hjortsø
Simulation of biological systems

Prof. Ralph W. Pike
Simulation of fluid mixing and reaction processes

Prof. José A. Romagnoli
Process Systems Engineering at LSU

Prof. Francisco R. Hung
Nanoporous materials and confined systems, liquid crystals, self- and
directed assembly at the nanoscale, computational modeling and
molecular simulation.

This page was last updated on May 7, 2008.