Friday, September 09, 2005

 

IlliGAL paper in Physcial Review B & Virtual Journal

A recently accepted IlliGAL paper (Sastry, K. Johnson, D. D., Goldberg, D. E., & Bellon, P. (2005) Genetic programming for multitimescale modeling, Physical Review B 72, 085438) has also been selected for posting in the 29 August 2005 edition of the Virtual Journal of Nanoscale Science and Technology. The paper uses GP to bridge slow yet accurate materials calculations (MD or molecular dynamics) at the molecular level with fast statistical procedures (KMC or kinetic Monte Carlo). The tuned statistical procedures can accurately model systems with small numbers of molecular runs, thereby allowing accurate materials modeling 3 to 9 orders of magnitude faster than is possible with MD calculations alone. IlliGAL PhD student Kumara Sastry is jointly advised by Duane Johnson in Material Science and Engineering at UIUC and me.

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