Archive for 'Multiscale Modeling' Category

Genetic algorithms and genetic programming for multiscale modeling: Applications in materials science and chemistry and advances in scalability

13 September 2007

Sastry, K. (2007). IlliGAL Report No. 2007019. University of Illinois at Urbana-Champaign, Urbana IL. [Ph.D. Thesis – PDF] [Ph.D. Thesis – PS] [Defense presentation slides].


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Optimization of semiempirical quantum chemisty methods via multiobjective genetic algorithms: Accurate photochemistry for larger molecules and longer time scales

4 June 2007

Sastry, K., Johnson, D. D., Thompson, A. L., Goldberg, D. E., Martinez, T. J., Leiding, J., Owens, J. (2007). Materials and Manufacturing Processes, 22(5), 553-561. [Full Paper – DOI]

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Multiobjective genetic algorithms for multiscaling excited state direct dynamics in photochemistry

11 July 2006

Sastry, K., Johnson, D.D., Thompson, A. L., Goldberg, D. E., Martinez, T. J., Leiding, J., Owens, J. (2006). Proceedings of the 2006 Genetic and Evolutionary Computation Conference, 1745—1752. [Full paper – PDF] [Full paper – PS] [Presentation slides]. [Best paper award in Real World Applications track] [Silver Humie award at the Human Competitive Results Competition].


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Genetic programming for multi-timescale modeling

20 August 2005

Sastry, K. Johnson, D. D., Goldberg, D. E., Bellon, P. (2005). Physical Review B, 72, 085438. [Selected for the August 29, 2005 issue of Virtual Journal of Nanoscale Science & Technology as frontier research].

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Genetic programming for multiscale modeling

25 December 2004

Sastry, K., Johnson, D. D., Goldberg, D. E., Bellon, P. (2004). International Journal for Multiscale Computational Engineering. 2(2), 239—256.
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