Construction of Reversible Lattice Molecular Automata

TL;DR

This paper introduces a reversible lattice molecular automata model that simulates molecular interactions and self-organization while obeying conservation laws, enabling more accurate physical modeling.

Contribution

It presents a novel reversible automata model that enforces physical conservation laws, improving the simulation of molecular self-organization.

Findings

Model obeys microscopic reversibility

Conserves physical quantities accurately

Enables validation of statistical physics methods

Abstract

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 model's 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.