Several cellular automata (CA) models have been developed to simulate self-organization of multiple levels of structures. However, they do not obey microscopic reversibility and conservation laws. In this paper, we describe the construction of a reversible lattice molecular automata (RLMA) model, which simulates molecular interaction and self-organization of higher-order structures. The models strict reversibility entails physically relevant conservation laws, and thus opens a way to precise application and validation of the methods from statistical physics in studying the necessary conditions for such multiple levels of self-organization.
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