Publications - Published papers
Please find below publications of our group. Currently, we list 565 papers. Some of the publications are in collaboration with the group of Sonja Prohaska and are also listed in the publication list for her individual group. Access to published papers () is restricted to our local network and chosen collaborators.
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Explicit Collision Simulation of Chemical Reactions in a Graph Based Artifical Chemistry
Gil Benkö, Christoph Flamm, Peter F. Stadler
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Status: Published
LNCS 3630: 725-733 (2005)
Abstract
A Toy Model of an artificial chemistry that treats molecules as graphs was implemented based on a simple Extended Hückel Theory method. Here we describe an extension of the model that models chemical reactions as the result of ``collisions''. In order to avoid a possible bias arising from prescribed generic reaction mechamisms, the reactions are simulated in a way that treats the formation and breakage of individual chemical bonds as elementary operations.
Note
Advances in Artificial Life: 8th European Conference, ECAL 2005. Mathieu S. Capcarrere, Alex A. Freitas, Peter J. Bentley, Colin G. Johnson, Jon Timmis (eds) Canterbury, UK, September 5-9, 2005