Atomic Cooperative Game Chemistry (ACGC): A Game-Theoretic Framework for Atomic Interactions and Complex Structure Formation
Year: 2026
Type: preprint
Abstract: Traditional chemistry relies heavily on quantum mechanics, thermodynamics, and empirical rules to describe atomic interactions and molecular structures. While highly successful for small systems, conventional frameworks often struggle to efficiently predict and explain the emergence of massive, highly complex structures such as nanomaterials, supramolecular assemblies, and bio-inorganic complexes. This paper introduces Atomic Cooperative Game Chemistry (ACGC), a novel theoretical framework that reconceptualizes atomic interactions through the lens of cooperative and non-cooperative game theory. By modeling individual atoms as strategic players navigating strategy spaces defined by electron configurations, orbital hybridization, and spatial orientation, ACGC treats chemical bonding, stability, and structure formation as dynamic processes of cooperation, competition, and trade-off optimization. We formulate the mathematical foundations of atomic-level games, define player strategies and payoff functions, establish equilibrium conditions analogous to chemical stability, and demonstrate how complex topological structures can be predicted purely from strategic interaction principles without relying on traditional experimental interpolation.
Author: Zhang, Jincheng
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7202026676