Supporting Data for "Exploring Programmable Self-Assembly in Non-DNA based Molecular Computing"

Germán Terrazas German.Terrazas@nottingham.ac.uk Interdisciplinary Computing and Complex Systems (ICOS) Research Group, School of Computer Science, University of Nottingham, UK
Hector Zenil hectorz@labores.eu Kroto Research Institute, Behavioural and Evolutionary Theory Lab, Department of Computer Science, University of Sheffield, UK
Natalio Krasnogor Natalio.Krasnogor@nottingham.ac.uk Interdisciplinary Computing and Complex Systems (ICOS) Research Group, School of Computer Science, University of Nottingham, UK
Submitted to:
Journal of Natural Computing
Special Issue on Frontiers of Natural Computing
2013
Abstract
Self-assembly is a phenomenon observed in nature at all scales where autonomous entities build complex structures far from equilibrium, without external influences nor master plan. Modelling such entities and programming correct interactions among them is crucial for controlling the manufacture of desired complex structures. This work focuses on a programmability model for non DNA-based molecules and complex behaviour analyses of their self-assembled conformations. In particular, we look into modelling, programming and simulation of porphyrin molecules self-assembly and apply Kolgomorov complexity-based techniques to classify and assess simulation results in terms of information content. The analyses focus on phase transition, clustering, variability and parameter discovery which as a whole pave the way to the notion of complex systems programmability.
TWO PORPHYRIN-TILES SPECIES
Experiment parameters:
Es: [0.5 eV, ..., 1.0 eV]
E11: [0.1 eV, ..., 1.0 eV]
E22: [0.1 eV, ..., 1.0 eV]
E12: [0.1 eV, ..., 1.0 eV]
Experiment results (browse by Es):
0.50 eV 0.60 eV 0.70 eV 0.80 eV 0.90 eV 1.00 eV